GD149834

Name:

[5-({3,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-4-yl}oxy)-3,4-dihydroxyoxolan-2-yl]methyl 3-[5'-(3-{[5-({3,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-4-yl}oxy)-3,4-dihydroxyoxolan-2-yl]methoxy}-3-oxoprop-1-en-1-yl)-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl]prop-2-enoate

Formula:

C50H66O32

Smiles:

COc1cc(C=CC(=O)OCC2OC(OC3C(O)COC(OC4COC(O)C(O)C4O)C3O)C(O)C2O)cc(-c2cc(C=CC(=O)OCC3OC(OC4C(O)COC(OC5COC(O)C(O)C5O)C4O)C(O)C3O)cc(OC)c2O)c1O

Aglycone:

COC(=O)C=Cc1cc(OC)c(O)c(-c2cc(C=CC(=O)OC)cc(OC)c2O)c1

Sugarmoiety:

OC1COC(OC2COC(O)C(O)C2O)C(O)C1OC1OC(O)C(O)C1O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1OC1OC(O)C(O)C1O

Other Identifiers

• CNP0259938

AD54705

Formula: C22H22O8

Smiles:

COC(=O)C=Cc1cc(OC)c(O)c(-c2cc(C=CC(=O)OC)cc(OC)c2O)c1

HBA:	8	RingCount:	2
HBD:	2	FractionCSP3:	0.18
AlogP:	3.15	Num_rotatable_bonds:	7
MolWt:	414.41	Num_heavy_atoms:	30
TPSA:	111.52	NumAromaticRings:	2