HIT ID: HIT218679398

Cas No:

分子式: C37H58O9

分子量: 646.862

常用名: 10-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid, Hederagenin 3-O-(2-O-acetyl-alpha-L-arabinopyranoside)

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 10-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

SMILES: CC(=O)OC1C(O)C(O)COC1OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CCC32C)C(O)=O)C1(C)CO

InChI key: ZNHPQEDTLCHPAZ-UHFFFAOYSA-N