Name: Scillascilloside B-1
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213886686
Cas No:2023822-41-3
常用名:Scillascilloside B-1
IUPAC:1-[(1S,3'R,3aS,5'S,5aR,6S,7S,9aS,11aS)-6-(hydroxymethyl)-3',3a,6,9a,11a-pentamethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-5'-yl]propan-1-one
IUPAC:1-[(1S,3'R,3aS,5'S,5aR,6S,7S,9aS,11aS)-6-(hydroxymethyl)-3',3a,6,9a,11a-pentamethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-5'-yl]propan-1-one
InChI key:RZAQKUZJRMZPFB-LNRNUTARSA-N

分子式:C40H64O13
分子量:752.939
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@@H]2CC4)O1 |c:13|
SMILES:CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@@H]2CC4)O1 |c:13|

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