Glycoside
...
GD113550

Name:
None

Formula:
C28H21O7NCl2

Smiles:
CCc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O

Aglycone:
CCc1ccccc1N.O=Cc1ccc(Cl)cc1.O=Cc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.15
AlogP: 5.03 Num_rotatable_bonds: 9
MolWt: 530.36 Num_heavy_atoms: 36
TPSA: 119.0 NumAromaticRings: 3

Unique Aglycone
AD15970
Formula: C8H11N

Smiles:
CCc1ccccc1N
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 1
MolWt: 121.18 Num_heavy_atoms: 9
TPSA: 26.02 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