GD130650

Name:

(6-{[2-({2-[4-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula:

C53H64O31

Smiles:

CC1OC(OC2COC(Oc3ccc(-c4oc5cc(O)cc(O)c5c(=O)c4OC4OC(C)C(O)C(O)C4OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc3)C(O)C2O)C(O)C(O)C1O

Aglycone:

COC(=O)C=Cc1ccc(O)c(O)c1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:

CC1OC(O)C(OC2OC(O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O.CC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0357822

AD00022

Formula: C15H10O6

Smiles:

O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

HBA:	6	RingCount:	3
HBD:	4	FractionCSP3:	0.0
AlogP:	2.28	Num_rotatable_bonds:	1
MolWt:	286.24	Num_heavy_atoms:	21
TPSA:	111.13	NumAromaticRings:	3

AD03431

Formula: C10H10O4

Smiles:

COC(=O)C=Cc1ccc(O)c(O)c1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.28	Num_rotatable_bonds:	2
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	1