HIT ID: HIT218679390

Cas No:

分子式: C52H84O23

分子量: 1077.221

常用名: 2-[4-(16-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl)-4-methoxy-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, Dioscoreside E

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-[4-(16-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,18-dien-6-yl)-4-methoxy-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: COC(CC(C)COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)O1

InChI key: WSWNKHNNDHPGMZ-UHFFFAOYSA-N