V1 iridoid
HIT214312194
sdf文件结构编辑类似物检索
HIT ID: HIT214312194
Cas No: 87441-71-2
分子式: C25H28O12
分子量: 520.487
常用名: V1 iridoid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(4S,7S,8S,11S)-2-oxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0^{4,11}]undeca-1(10),5-dien-6-yl]methyl 3-(4-hydroxyphenyl)propanoate
IUPAC: [(4S,7S,8S,11S)-2-oxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0^{4,11}]undeca-1(10),5-dien-6-yl]methyl 3-(4-hydroxyphenyl)propanoate
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@H]4[C@@H](OC3=O)C=C(COC(=O)CCc3ccc(O)cc3)[C@@H]24)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:16|
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@H]4[C@@H](OC3=O)C=C(COC(=O)CCc3ccc(O)cc3)[C@@H]24)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:16|
InChI key: UNMSAFXENBIZSU-GOXDRFODSA-N
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