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
-	cyclo[Gly-Trp-Pro-Gly-Val-Gly-Tyr(bR-OH)] - CC(C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)[C@@H](C5=CC=C(C=C5)O)O	C₃₆H₄₄N₈O₉	732.8
-	(2S,3R,4R,5S,6R)-2-[(2S,3S,4R,5R,6S)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4R,5'R,6S,7R,8S,9S,12R,13S,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]oxy-5-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-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](CO8)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@@H]([C@H](O9)C)O)O)O)C)C)O)C)OC1	C₄₄H₇₀O₁₇	871.0
-	(1R,4S,16R,18S,20S)-20-[(2-aminopyridin-4-yl)methyl]-7-hydroxy-18-[(2R,3S)-2-hydroxy-1-[4-[(2S)-1-[[(2S)-2-hydroxypropyl]amino]propan-2-yl]pyrrol-4-ylium-2-yl]hexan-3-yl]-8-methoxy-4-phenyl-6-(2-phenylethyl)tricyclo[14.5.0.05,10]henicosa-5,7,9-trien-2-yne-13,15-dione - CCC[C@@H]([C@H]1C[C@@H](C[C@H]2C#C[C@@H](C3=C(C(=C(C=C3CCC(=O)CC(=O)[C@@H]2C1)OC)O)CCC4=CC=CC=C4)C5=CC=CC=C5)CC6=CC(=NC=C6)N)[C@@H](CC7=C[C+](C=N7)[C@H](C)CNC[C@H](C)O)O	C₅₈H₇₁N₄O₆+	920.2
-	(13,14-Dihydroxy-3,16,16-trimethyl-6-methylidene-7-oxo-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-3-yl) acetate - CC(=O)OC1(CC2C3C4(C1C56CCCC(C5C(C4(OC6O3)O)O)(C)C)C(=O)C2=C)C	C₂₃H₃₀O₇	418.5
-	[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate - C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)OC(=O)C)O[C@H]4[C@H]([C@H]([C@H]([C@H](O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O	C₃₇H₄₈O₂₀	812.8
-	(1R,9S,10R,11R)-4-methoxy-11,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one - C[C@@H]1CC(=O)C[C@]23[C@@H]1[C@H](CC4=C2C=C(C=C4)OC)N(CC3)C	C₁₉H₂₅NO₂	299.4
-	(1S,6R,9S,11R,12R,19R,20S,21S,26S,27R)-15-[(1R,2R,4aS,8aS)-2-[(R)-[(2R,3R)-3-[(1R,2R)-2-(3-aminophenyl)cyclopentyl]-3-methyloxiran-2-yl]-hydroxymethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-6-hydroxy-11-(2-hydroxyethyl)-26-[3-hydroxy-5-(methylaminomethyl)phenyl]-6,12,20-trimethyl-8-azahexacyclo[19.3.2.11,9.011,19.012,16.020,27]heptacosa-15,22-diene-14,25-dione - C[C@]1(CCCC[C@@]23CC=C[C@@H]([C@H](C2=O)C4=CC(=CC(=C4)CNC)O)[C@@]5([C@H]3[C@H](C[C@]6([C@@H]5CCC7=C(C(=O)C[C@@]76C)[C@@H]8[C@H]9CCCC[C@H]9CC[C@H]8[C@H]([C@@H]2[C@@](O2)(C)[C@@H]2CCC[C@H]2C2=CC(=CC=C2)N)O)CCO)NC1)C)O	C₆₄H₈₉N₃O₇	1012.4
-	(1S,3S,6R,9R,10S,11R,12R,15S,16S,17R,19R,25R)-3-benzyl-10,12,25-trihydroxy-15,19-dimethyl-9-[(2R)-2-methyl-5-phenylpentyl]-25-[2-(5-oxo-2H-furan-3-yl)ethyl]-15-[(1R,4S,7S,9R,18S,23R,25S)-23-phenyl-7-heptacyclo[12.10.3.04,9.04,25.010,27.017,26.018,23]heptacosa-10,12,14(27),15,17(26)-pentaenyl]-24-oxapentacyclo[15.5.2.111,19.01,6.011,16]pentacosa-7,20-diyn-23-one - C[C@H](CCCC1=CC=CC=C1)C[C@@H]2C#C[C@H]3CC[C@H](C[C@]34CC#C[C@]5(C[C@H]([C@H]6[C@](CC[C@H]([C@]6([C@H]2O)[C@]5(CCC7=CC(=O)OC7)O)O)(C)[C@H]8CC[C@]91CC[C@H]2[C@@H]9C3=C(C=CC5=C3C(=CC=C5)[C@@H]1C8)[C@H]1CCCC[C@]1(C2)C1=CC=CC=C1)OC4=O)C)CC1=CC=CC=C1	C₈₄H₉₆O₇	1217.7
-	[2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl] (1R,2S,9S,10R,13R,16R,17S,18S,20R,21S,23S,24R,26S,27R,28S,30S,31S,38R,39S)-31-[(cyclohexylamino)methyl]-5,17,26,27,39-pentahydroxy-38-(methylamino)-22,25-dioxa-32,33,35,36-tetrathiadecacyclo[16.16.4.12,10.126,30.03,8.09,13.09,16.016,21.020,28.023,27]tetraconta-3(8),4,6-triene-24-carboxylate - CN[C@H]1CSS[C@H]2CSS[C@@H]([C@H]3C[C@H]4[C@H]5C[C@@H]1[C@@H]([C@@]6([C@H]5O[C@@H]7[C@]4([C@]([C@H]3O)(O[C@H]7C(=O)OC8=C(NC9=C8C1=CC3=CC=CC=C3C=C1C=C9)CO)O)O)CC[C@@H]1[C@@]63[C@H](CC1)C[C@H]2C1=C3C=CC(=C1)O)O)CNC1CCCCC1	C₆₀H₇₁N₃O₁₀S₄	1122.5
-	(1R,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-2-hydroxy-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-23-methylidene-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde - C[C@@]1(CC[C@@]23[C@@H](C1)[C@]4(CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(C[C@H]2O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)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]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)OC3=C)C=O	C₅₉H₉₄O₂₇	1235.4