HIT218678893 - (5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-2-yl)methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate, 10-O-[(E)-3,4-Dimethoxycinnamoyl]-catalpol

sdf文件结构编辑类似物检索

HIT ID: HIT218678893

Cas No:

分子式: C26H32O13

分子量: 552.529

常用名: (5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-2-yl)methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate, 10-O-[(E)-3,4-Dimethoxycinnamoyl]-catalpol

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-2-yl)methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate

SMILES: COc1ccc(C=CC(=O)OCC23OC2C(O)C2C=COC(OC4OC(CO)C(O)C(O)C4O)C32)cc1OC

InChI key: QHXDBFPOFIGMFJ-UHFFFAOYSA-N