GD145978

Name:

None

Formula:

C49H61O29

Smiles:

COc1cc(C=CC(=O)OCC2OC(OC3=C(c4ccc(O)c(O)c4)OC4C=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C4=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1OC1OC(C[OH2+])C(O)C(O)C1O

Aglycone:

COC(=O)C=Cc1ccc(O)c(OC)c1.OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1

Sugarmoiety:

OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0467322

AD00132

Formula: C11H12O4

Smiles:

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

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.18
AlogP:	1.59	Num_rotatable_bonds:	3
MolWt:	208.21	Num_heavy_atoms:	15
TPSA:	55.76	NumAromaticRings:	1

AD44954

Formula: C15H12O6

Smiles:

OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1

HBA:	6	RingCount:	3
HBD:	5	FractionCSP3:	0.07
AlogP:	2.55	Num_rotatable_bonds:	1
MolWt:	288.25	Num_heavy_atoms:	21
TPSA:	110.38	NumAromaticRings:	1