HIT ID: HIT218832770

Cas No:

分子式: C35H56O10

分子量: 636.823

常用名: 2-{[8-(1,2-dihydroxy-2-methylpropyl)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docos-13-en-18-yl]oxy}oxane-3,4,5-triol, Cimiricaside E

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-{[8-(1,2-dihydroxy-2-methylpropyl)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docos-13-en-18-yl]oxy}oxane-3,4,5-triol

SMILES: CC1CC(OC2(O)C(O)C3(C)C4=CCC5C6(CC46CCC3(C)C12)CCC(OC1OCC(O)C(O)C1O)C5(C)C)C(O)C(C)(C)O

InChI key: XTASMTJQVSFKKE-UHFFFAOYSA-N