Glycoside
...
GD113357

Name:
None

Formula:
C28H21O7NCl2

Smiles:
Cc1ccc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1

Aglycone:
Cc1ccc(C=O)cc1.Cc1ccc(C=O)cc1.Nc1cc(Cl)cc(Cl)c1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.15
AlogP: 5.08 Num_rotatable_bonds: 8
MolWt: 530.36 Num_heavy_atoms: 36
TPSA: 119.0 NumAromaticRings: 3

Unique Aglycone
AD01408
Formula: C8H8O

Smiles:
Cc1ccc(C=O)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.81 Num_rotatable_bonds: 1
MolWt: 120.15 Num_heavy_atoms: 9
TPSA: 17.07 NumAromaticRings: 1
AD44816
Formula: C8H5NCl2

Smiles:
Nc1cc(Cl)cc(Cl)c1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 0
MolWt: 162.02 Num_heavy_atoms: 9
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00296

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