GD143176

Name:

None

Formula:

C72H81O40

Smiles:

O=C(C=Cc1ccc(OC2OC(C[OH2+])C(O)C(O)C2O)c(O)c1)OCC1OC(Oc2ccc(C=CC(=O)OCC3OC(Oc4cc(C5=C(OC6OC(CO)C(O)C(O)C6O)C=C6C(O)=CC(OC7OC(COC(O)=CC=C8C=CC(=O)C(O)=C8)C(O)C(O)C7O)C=C6O5)ccc4O)C(O)C(O)C3O)cc2O)C(O)C(O)C1O

Aglycone:

COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.COC(O)=CC=C1C=CC(=O)C(O)=C1.OC1=CC(O)C=C2OC(c3ccc(O)c(O)c3)=C(O)C=C12

Sugarmoiety:

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

Other Identifiers

• CNP0464640

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

AD57594

Formula: C10H10O4

Smiles:

COC(O)=CC=C1C=CC(=O)C(O)=C1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.54	Num_rotatable_bonds:	2
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	0

AD57595

Formula: C15H12O6

Smiles:

OC1=CC(O)C=C2OC(c3ccc(O)c(O)c3)=C(O)C=C12

HBA:	6	RingCount:	3
HBD:	5	FractionCSP3:	0.07
AlogP:	1.98	Num_rotatable_bonds:	1
MolWt:	288.25	Num_heavy_atoms:	21
TPSA:	110.38	NumAromaticRings:	1