科华智慧（深圳）创新药物研发有限公司-天然产物化合物库-创新药物研发-波谱智能解析-化合物冷冻电镜结构解析

天然产物数据库

您可快速检索70万⁺天然产物信息

检索最多: 白僵菌素大品种冬虫夏草人参三七党参大戟决明半夏丁香

CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2'R,3S,3'R,4'S,5aR,7R,9R,9aR)-7-[[(3S,8R,9R,10R,13S,14S,17R)-3,17-dihydroxy-8,10,13-trimethyl-2,3,4,7,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]methoxy]-4'-methoxy-2',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol - C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@@H]4[C@H](O[C@H](C[C@@H]4O)O[C@@H]5[C@H](O[C@]6(C[C@@H]5OC)CO[C@@H]7C[C@@H](O[C@@H]([C@H]7OO6)C)OC[C@]8(CC[C@@H]9[C@@]8(CC[C@@H]1[C@]9(CC=C2[C@@]1(CC[C@@H](C2)O)C)C)C)O)C)C)C)C)O)OC)O	C₆₁H₁₀₀O₂₃	1201.4
-	1-[1-[(1S,8R,10S,11S,13R,15R)-1-[(2S)-1-[5-[(3S,4R,11R)-13-(ethylaminomethoxy)-3,11-dihydroxy-15-[2-(methylamino)ethoxy]-6-oxa-10-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),8,12,14,16(20)-hexaen-4-yl]-2-hydroxy-3-methoxyphenoxy]-3-hydroxypropan-2-yl]-10-(2-hydroxyethyl)-13-tetracyclo[6.6.2.02,7.011,15]hexadeca-2,4,6-trienyl]cyclohexyl]pyrrole-2,5-dione - CCNCOC1=C2[C@H](NC3=CC4=C([C@H]([C@@H](CO4)C5=CC(=C(C(=C5)OC[C@H](CO)[C@]67C[C@@H](C[C@@H]8[C@H]6C[C@@H](C[C@H]8CCO)C9=CC=CC=C79)C4(CCCCC4)N4C(=O)C=CC4=O)O)OC)O)C4=C3C2=C(CC4)C(=C1)OCCNC)O	C₆₂H₇₆N₄O₁₂	1069.3
-	(2R,3R,7S,9aS)-7-[(1S,4R,6S,8R,24R,34S,35S)-22-amino-31-cyclopentyloxy-11,32-dihydroxy-35-(methoxymethyl)-6-methylspiro[21,23-diazaheptacyclo[22.11.1.19,13.115,19.03,8.04,34.028,33]octatriaconta-2,9,11,13(38),15(37),16,18,22,28(33),29,31-undecaen-26-yne-20,1'-cyclohexane]-29-yl]-3-ethyl-2,4-bis(hydroxymethyl)-1,2,3,6,7,8,9,9a-octahydrobenzo[7]annulen-5-one - CC[C@@H]1[C@@H](C[C@@H]2CC[C@@H](CC(=O)C2=C1CO)C3=CC(=C(C4=C3C#CC[C@H]5C[C@H]6C=C7[C@@H]([C@H]4[C@H]6COC)C[C@@H](C[C@H]7C8=CC(=CC(=C8)CC9=CC(=CC=C9)C1(CCCCC1)NC(=N5)N)O)C)O)OC1CCCC1)CO	C₆₄H₈₁N₃O₇	1004.3
-	(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R,4S,5'S,6S,7S,8R,9R,12S,13R,16S)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol - C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@]4([C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)O)C)OC1	C₅₀H₈₀O₂₃	1049.2
-	(3S,3'S,6'E,9'R,12'R,14'S,17'S,22'S,23'R,25'S,26'Z,28'R,30'S,32'R,35'R)-7-(3-aminopropyl)-28'-cyclohexyl-7'-hydroxy-22'-methyl-9'-[[(10S)-spiro[4.5]decan-10-yl]methyl]spiro[2-benzofuran-3,31'-5-oxa-10,16-diazadecacyclo[18.14.2.110,14.02,25.03,30.03,32.06,32.012,17.016,36.023,35]heptatriaconta-1,6,20(36),26-tetraene]-1,4'-dione - C[C@H]1CC2=C3[C@@H]4[C@@H]1C[C@H]5/C=C\[C@H](C[C@@H]6[C@]7(C8=CC=CC(=C8C(=O)O7)CCCN)[C@]9\1[C@]6(C5=C4CC9)C(=O)O/C1=C(\C[C@H](N1C[C@@H]4C[C@H](C1)[C@@H](N3C4)CC2)C[C@@H]1CCCCC11CCCC1)/O)C1CCCCC1	C₆₂H₈₁N₃O₅	948.3
-	(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5S)-5-hydroperoxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-6-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol - CC(=C)[C@H](CC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)OO	C₅₃H₉₀O₂₄	1111.3
-	(2S,4aR,6aR,6aS,6bR,8aS,9R,10S,11R,12R,12aR,14bS)-12-[[(2R,3R,4S)-2-[(1S)-4-amino-1-(1H-imidazol-5-yl)butyl]-4-(hydroxymethyl)-4-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methyl]-11-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid - C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@H]5[C@@]4([C@H]([C@H]([C@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C[C@H]7[C@@H](NC(=O)[C@]7(CCCO)CO)[C@H](CCCN)C8=CN=CN8)C)C)[C@@H]2C1)C)C(=O)O)CO	C₅₁H₈₂N₄O₁₃	959.2
-	ethyl (2S,5Z)-5-[2-[2-[(2R,4R,5S)-2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl]imidazol-1-yl]ethylidene]-2-[(2S)-2,6-dihydroxyhexan-2-yl]-6-formyl-9-(hydroxymethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate - CCOC(=O)C1=C(/C(=C\CN2C=CN=C2N3CN[C@H]4[C@@H]3N[C@H](NC4=O)N)/C5=C(C6=C(C(=C5O1)CO)O[C@@H](C6)[C@](C)(CCCCO)O)OC)C=O	C₃₃H₄₃N₇O₁₀	697.7
-	(17R,21R,22R,24R,27S)-31-hydroxy-24-(2-hydroxyethyl)-17-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-32-methoxy-16-oxa-3-azahexacyclo[19.7.6.02,10.04,9.022,27.029,34]tetratriaconta-1(28),2(10),4,6,8,29,31,33-octaen-12-yne-15,19-dione - COC1=C(C=CC(=C1)CC[C@@H]2CC(=O)C[C@@H]3[C@@H]4C[C@@H](CC[C@@H]4C=C(C5=CC(=C(C=C35)OC)O)C6=C(CC#CCC(=O)O2)C7=CC=CC=C7N6)CCO)O	C₄₄H₄₇NO₈	717.8
-	(1S,4S,6S,9R,10S,19S,20S,21R,24S,25R,26S,27R,28R,30R,31R,34S,38R,41R,42S)-31-[(1R,2R,3S,4S)-4-amino-2,4-dihydroxy-1-(1H-imidazol-5-yl)-3-[[2-[(N'-methylcarbamimidoyl)amino]ethylamino]methyl]butyl]-42-cyclopentyl-27-hydroxy-6,25-bis(hydroxymethyl)-6,20,21,25-tetramethyl-33-oxo-26-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-12,14,16,32-tetrazadecacyclo[22.16.2.03,20.04,9.010,19.013,17.021,41.028,42.030,34.034,38]dotetraconta-2,13(17),14-trien-39-yne-9-carboxylic acid - C[C@@]1(CC[C@]2([C@@H](C1)C3=C[C@@H]4C#C[C@H]5CCC[C@@]56[C@@H](C[C@H]7[C@H]([C@H]([C@@]([C@@H]8[C@]7([C@@H]4[C@]([C@@]3([C@@H]9[C@@H]2CNC1=C(C9)NC=N1)C)(CC8)C)C1CCCC1)(C)CO)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)[C@@H](NC6=O)[C@H](C1=CN=CN1)[C@H]([C@H](CNCCNC(=NC)N)[C@@H](N)O)O)C(=O)O)CO	C₆₇H₁₀₁N₁₁O₁₃	1268.6