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

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