Glycoside
...
GD112762

Name:
None

Formula:
C27H19O7NCl2

Smiles:
Cc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)c1

Aglycone:
Cc1cccc(N)c1.O=Cc1ccccc1Cl.O=Cc1ccccc1Cl

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 4.78 Num_rotatable_bonds: 8
MolWt: 516.33 Num_heavy_atoms: 35
TPSA: 119.0 NumAromaticRings: 3

Unique Aglycone
AD07094
Formula: C7H9N

Smiles:
Cc1cccc(N)c1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.58 Num_rotatable_bonds: 0
MolWt: 107.16 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1
AD25413
Formula: C8H5OCl

Smiles:
O=Cc1ccccc1Cl
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