GD143608

Name:

2-(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-({3,4-dihydroxy-6-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)ethyl]oxan-2-yl}oxy)-5-hydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

Formula:

C46H62O29

Smiles:

CC1OC(CCC2CC(O)C(O)C(Oc3cc(O)c4c(=O)c(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)c(-c5cc(O)c(OC6OC(CO)C(O)C(O)C6O)c(O)c5)oc4c3)O2)C(O)C(O)C1O

Aglycone:

O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:

CC1OC(CCC2CC(O)C(O)C(O)O2)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0400711

AD01074

Formula: C15H10O8

Smiles:

O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12

HBA:	8	RingCount:	3
HBD:	6	FractionCSP3:	0.0
AlogP:	1.69	Num_rotatable_bonds:	1
MolWt:	318.24	Num_heavy_atoms:	23
TPSA:	151.59	NumAromaticRings:	3