GD146061

Name:

None

Formula:

C33H40O21N2

Smiles:

O=C(O)CC(=O)OC1C(CO)OC(Oc2cc3c(cc2O)N(CC=C2C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)O)C3)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:

O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1.O=C(O)CC(=O)O

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0467386

AD13454

Formula: C3H4O4

Smiles:

O=C(O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.33
AlogP:	-0.45	Num_rotatable_bonds:	2
MolWt:	104.06	Num_heavy_atoms:	7
TPSA:	74.6	NumAromaticRings:	0

AD46344

Formula: C18H18O8N2

Smiles:

O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1

HBA:	10	RingCount:	3
HBD:	6	FractionCSP3:	0.28
AlogP:	0.25	Num_rotatable_bonds:	5
MolWt:	390.35	Num_heavy_atoms:	28
TPSA:	167.63	NumAromaticRings:	1