Glycoside
...
GD030806

Name:
None

Formula:
C31H30O10N3Cl

Smiles:
CC(=O)OCC1OC(N2C(=O)C(=Cc3ccc(Cl)cc3)C(N)=Nc3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.NC1=Nc2ccccc2NC(=O)C1=Cc1ccc(Cl)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 2 FractionCSP3: 0.33
AlogP: 2.84 Num_rotatable_bonds: 7
MolWt: 628.03 Num_heavy_atoms: 44
TPSA: 173.12 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD19926
Formula: C17H12ON3Cl

Smiles:
NC1=Nc2ccccc2NC(=O)C1=Cc1ccc(Cl)cc1
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 3.36 Num_rotatable_bonds: 1
MolWt: 297.75 Num_heavy_atoms: 21
TPSA: 67.48 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O