Glycoside
...
GD110096

Name:
None

Formula:
C25H17O8N3Cl2

Smiles:
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)nn1

Aglycone:
COc1ccc(N)nn1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(Cl)cc1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 2 FractionCSP3: 0.13
AlogP: 3.27 Num_rotatable_bonds: 9
MolWt: 534.31 Num_heavy_atoms: 36
TPSA: 154.01 NumAromaticRings: 3

Unique Aglycone
AD30697
Formula: C5H7ON3

Smiles:
COc1ccc(N)nn1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 0.07 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 61.03 NumAromaticRings: 1
AD40392
Formula: C8H5OCl

Smiles:
O=Cc1ccc(Cl)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 2.15 Num_rotatable_bonds: 1
MolWt: 140.57 Num_heavy_atoms: 9
TPSA: 17.07 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O