GD115953

Name:

None

Formula:

C48H59O28

Smiles:

O=C(C=Cc1ccc(OC2OC(C[OH2+])C(O)C(O)C2O)cc1)OCC1OC(OC2=C(c3ccc(O)c(O)c3)OC3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

COC(=O)C=Cc1ccc(O)cc1.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

• CNP0438692

AD00020

Formula: C10H10O3

Smiles:

COC(=O)C=Cc1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.1
AlogP:	1.58	Num_rotatable_bonds:	2
MolWt:	178.19	Num_heavy_atoms:	13
TPSA:	46.53	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