HIT ID: HIT101474418

Cas No: 139891-98-8

分子式: C34H42O19

分子量: 754.691

常用名: 3, 6′-Disinapoyl Sucrose, 3',6-Disinapoylsucrose

氢键受体数 (HBA): 17

氢键供体数 (HBD): 8

LogP: 0.3

IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2S,3S,4R,5R)-4-hydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

SMILES: COc1cc(\C=C\C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)\C=C\c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O

InChI key: FHIJMQWMMZEFBL-OPSYHMPNSA-N