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
-	N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-methylpiperidin-1-yl)oxolan-2-yl]methyl]methanesulfonamide - CC1CCN(CC1)[C@H]2[C@H](O[C@H]([C@H]2O)CO)CNS(=O)(=O)C	C₁₃H₂₆N₂O₅S	322.42
-	(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@]7(CC[C@@H]([C@@H]7[C@H](C[C@]6([C@@]5(C[C@@H]([C@H]4C3(C)C)O)C)C)O)C(C)(C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O)O)O)O)O	C₄₇H₈₀O₁₆	901.1
-	1-Meadoyl-2-osbondoyl-3-arachidonoyl-glycerol - CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	C₆₅H₁₀₂O₆	979.5
-	(2R,3R,4R,5S,6S)-6-[[(3S,4R,4aR,6aR,6bS,8aS,9R,12aR,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid - C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](CO[C@@H]2O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3O[C@H]4CC[C@]5([C@H]([C@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@]8([C@@H]7CC(C[C@H]8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O	C₄₇H₇₆O₁₇	913.1
-	(1S,2R,5S,9R,11R,12R,13R)-11-hydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-6,14,17-trien-16-one - CC1=NC[C@@]23[C@@H]1CC[C@@H]2[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@@H]4[C@@H](C3)O)C	C₂₁H₂₇NO₂	325.4
-	[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6S)-6-[(2'R,3S,3'R,4'R,5aR,7S,9R,9aR)-7-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-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-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate - 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]3OC)O[C@@H]4[C@H](O[C@H](C[C@@H]4OC)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)O[C@@H](C)[C@]8(CC[C@@H]9[C@@]8(CC[C@H]1[C@H]9CC=C2[C@@]1(CC[C@@H](C2)O)C)C)O)C)C)C)C)OC(=O)C)OC)O	C₆₅H₁₀₆O₂₄	1271.5
-	(3R,4S,5R,8S,9S,10S,13S,14R,17R)-17-[(1R)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(methylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol - C[C@H]([C@@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@]3(CC[C@H]([C@H]4O)NC)C)C)N(C)C	C₂₄H₄₄N₂O	376.6
-	[(8R,9R,10S)-9-acetyloxy-10-methoxyheptadec-16-en-4,6-diyn-8-yl] acetate - CCCC#CC#C[C@H]([C@@H]([C@H](CCCCCC=C)OC)OC(=O)C)OC(=O)C	C₂₂H₃₂O₅	376.5
-	(1S,4R,5S,7S,9S,13S,14S,15S)-4-hydroxy-15-[(2R,3S,4R,5S)-5-hydroxy-4-[(2R,3S,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3-methoxyoxan-2-yl]oxy-5,8,8,14-tetramethyl-9-[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]-10,17,18-trioxatricyclo[11.3.1.14,7]octadecane-3,11-dione - C[C@H]1C[C@H]2C([C@@H](OC(=O)C[C@H]3[C@@H]([C@H](C[C@H](O3)CC(=O)[C@@]1(O2)O)O[C@@H]4[C@H]([C@@H]([C@H](CO4)O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C)O)OC)OC)OC)C)/C=C/C=C/C=C/C(C)C)(C)C	C₄₂H₆₆O₁₅	811.0
-	[(1S,4aS,7S,7aS)-4a-hydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate - CC(=O)O[C@]1(CC[C@]2([C@@H]1[C@@H](OC=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C	C₁₇H₂₆O₁₀	390.4