Glycoside
...
GD009986

Name:
None

Formula:
C24H27O11N3Cl2

Smiles:
O=C(O)CC[C@H](NC(=O)CC1OC(CNC(=O)CC(=O)Nc2ccc(Cl)cc2Cl)C(O)C(O)C1O)C(=O)O

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CNC(=O)CC(=O)Nc1ccc(Cl)cc1Cl

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 8 FractionCSP3: 0.5
AlogP: -0.89 Num_rotatable_bonds: 12
MolWt: 580.37 Num_heavy_atoms: 38
TPSA: 231.82 NumAromaticRings: 1

Unique Aglycone
AD01099
Formula: C7H11O5N

Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 103.7 NumAromaticRings: 0
AD07770
Formula: C12H10O2N2Cl2

Smiles:
CNC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 2.07 Num_rotatable_bonds: 3
MolWt: 261.11 Num_heavy_atoms: 16
TPSA: 58.2 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O