Verproside
HIT100988048
sdf文件结构编辑类似物检索
HIT ID: HIT100988048
Cas No: 50932-20-2
分子式: C22H26O13
分子量: 498.437
常用名: Verproside
氢键受体数 (HBA): 12
氢键供体数 (HBD): 7
LogP: -1.544
IUPAC: (1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-5-yl 3,4-dihydroxybenzoate
IUPAC: (1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-5-yl 3,4-dihydroxybenzoate
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)c(O)c4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |c:8|
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)c(O)c4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |c:8|
InChI key: DBUOUVZMYWYRRI-YWEKDMGLSA-N
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