GD132198

Name:

5-hydroxy-7-({5-hydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-yl}oxy)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

Formula:

C42H38O23

Smiles:

CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(Oc4cc(O)c5c(=O)c(OC6OC(C)C(O)C(O)C6O)c(-c6cc(O)c(O)c(O)c6)oc5c4)cc(O)c3c2=O)C(O)C(O)C1O

Aglycone:

O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(Oc3cc(O)c4c(=O)c(O)c(-c5cc(O)c(O)c(O)c5)oc4c3)cc(O)c12

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0293974

AD53517

Formula: C30H18O15

Smiles:

O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(Oc3cc(O)c4c(=O)c(O)c(-c5cc(O)c(O)c(O)c5)oc4c3)cc(O)c12

HBA:	15	RingCount:	6
HBD:	10	FractionCSP3:	0.0
AlogP:	4.08	Num_rotatable_bonds:	4
MolWt:	618.46	Num_heavy_atoms:	45
TPSA:	271.95	NumAromaticRings:	6