HIT ID: HIT100795293

Cas No: 1941-73-7

分子式: C36H54O13

分子量: 694.815

常用名: Apobioside

氢键受体数 (HBA): 12

氢键供体数 (HBD): 5

LogP: 1.149

IUPAC: 3a-hydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

SMILES: COC1CC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O |t:29|

InChI key: CSVNMGCNZRUZHN-UHFFFAOYSA-N