GD123844

Name:

None

Formula:

C39H42O21N2

Smiles:

O=C(C=Cc1ccc(O)cc1)OC1C(OC2C(Oc3cc4c(cc3O)N(CC=C3C=C(C(=O)O)NC(C(=O)O)C3)C(C(=O)O)C4)OC(CO)C(O)C2O)OC(C(=O)O)C(O)C1O

Aglycone:

O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:

O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0446332

AD00021

Formula: C9H8O3

Smiles:

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

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	1.49	Num_rotatable_bonds:	2
MolWt:	164.16	Num_heavy_atoms:	12
TPSA:	57.53	NumAromaticRings:	1

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