Noueloside B
HIT218849950
sdf文件结构编辑类似物检索
HIT ID: HIT218849950
Cas No:
分子式: C26H40O9
分子量: 496.597
常用名: Noueloside B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9S,10S,12R,13R,15R)-12,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate
IUPAC: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9S,10S,12R,13R,15R)-12,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate
SMILES: [H][C@]12C[C@@]3(CC[C@]4([H])[C@@](C)(CCC[C@@]4(C)[C@]3([H])C[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)C2=C
SMILES: [H][C@]12C[C@@]3(CC[C@]4([H])[C@@](C)(CCC[C@@]4(C)[C@]3([H])C[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)C2=C
InChI key: VFBUZRTUVOVFCM-BHJUPASXSA-N
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