HIT ID: HIT218679338

Cas No:

分子式: C42H72O13

分子量: 785.025

常用名: 2-[(6-methyl-2-{7,8,11-trihydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol, Gynosaponin TN2

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-[(6-methyl-2-{7,8,11-trihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

SMILES: CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3CCC4(C)C3C(O)CC3C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C(O)C(O)C2O)C(O)C(O)C1O

InChI key: UWUZNWOONZAPGM-UHFFFAOYSA-N