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
-	(1R,8R,9S,16S)-16-(2,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol - C1=CC(=CC=C1[C@H]2[C@@H]3[C@@H]([C@H](C4=C2C(=CC(=C4)O)O)C5=C3C=C(C=C5O)O)C6=C(C=C(C=C6)O)O)O	C₂₈H₂₂O₇	470.5
-	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate - 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]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(C[C@H]([C@@]7([C@H]6CC(CC7)(C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C)O)O)O)O)O	C₄₇H₇₆O₁₈	929.1
-	(1S,2S,5S,6S,10S,11R,14R,15S,18S,19S)-10-[[(2S,3R,4S,5S,6S)-3-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-one - C[C@@]1(CCC[C@@]2([C@H]1CC[C@@]3([C@H]2CC[C@H]4[C@@]3(CC[C@]5([C@]46CC[C@@H]5C(OC6=O)(C)C)O)C)C)C)CO[C@@H]7[C@@H]([C@H]([C@@H]([C@@H](O7)CO)O)O)O[C@H]8[C@H]([C@H]([C@H](O8)CO)O)O	C₄₁H₆₆O₁₃	767.0
-	(1S,2S,5R,6R,10S,11R,14R,15R,18R,19S,20R)-10-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosane-20-carboxylic acid - C[C@@]1(CCC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@]5([C@]46CC[C@@H]5[C@](OC6=O)(C)C(=O)O)O)C)C)C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O	C₄₇H₇₄O₂₀	959.1
-	7-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-[[(2R)-2-methylpiperidin-1-yl]methyl]chromen-4-one - C[C@@H]1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C)O	C₂₄H₂₇NO₄	393.5
-	[(4S,4aS,5R,6S,8aS,9aS)-9a-[(4S,4aS,5R,6S,8aS,9aS)-6-hydroxy-3,4a,5-trimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-9a-yl]-6-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate - C/C=C(\C(=O)O[C@H]1[C@]2([C@H](C[C@]3(C1=C(C(=O)O3)C)[C@@]45OC(=O)C(=C4[C@H]([C@]6([C@H](C5)CC[C@@H]([C@@H]6C)O)C)OC(=O)/C(=C\C)/C)C)CC[C@@H]([C@@H]2C)O)C)/C	C₄₀H₅₄O₁₀	694.8
-	[(1R,2S,3R,4R,4aS,8aR)-2-benzoyloxy-3-hydroxy-3,4,8a-trimethyl-8-methylidene-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate - C[C@]1([C@H]2CCCC(=C)[C@@]2([C@H]([C@@H]([C@]1(C)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C)CCC5=CC(=O)OC5	C₃₄H₃₈O₇	558.7
-	[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aR,6bS,8aR,10R,12aS,14bR)-10-[(2R,3R,4S,5S)-4-hydroxy-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate - 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](C3(C)C)CC[C@]5([C@@H]4CC=C6[C@@]5(CC[C@@]7([C@@H]6CC(CC7)(C)C)C(=O)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)O[C@H]9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)O)O)O)O	C₅₃H₈₆O₂₁	1059.2
-	(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-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@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[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)O)O)O)C)O)C)C)OC1	C₃₉H₆₄O₁₄	756.9
-	(2S,3S,6S)-3-hydroxy-6-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propan-2-yloxane-2-carboxamide - CC(C)NC(=O)[C@@H]1[C@H](CC[C@H](O1)CCN2CCN(CC2)C3=CC=CC=C3)O	C₂₁H₃₃N₃O₃	375.5