HIT ID: HIT218679427

Cas No:

分子式: C39H50O23

分子量: 886.806

常用名: 5-[(3,4-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid, Bergamjuicin

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 5-[(3,4-dihydroxy-6-{[5-hydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

SMILES: CC1OC(OC2C(O)C(O)C(COC(=O)CC(C)(O)CC(O)=O)OC2Oc2cc(O)c3C(=O)CC(Oc3c2)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)C(O)C(O)C1O

InChI key: KQUASHIVFXQCNK-UHFFFAOYSA-N