Glycoside
...
GD003371

Name:
None

Formula:
C29H30O10N4S

Smiles:
CC(=O)OCC1OC(NC(=S)Nn2c(-c3ccccc3)nc3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)Nn1c(-c2ccccc2)nc2ccccc2c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.34
AlogP: 1.56 Num_rotatable_bonds: 8
MolWt: 626.64 Num_heavy_atoms: 44
TPSA: 173.38 NumAromaticRings: 3

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
AD03065
Formula: C15H12ON4S

Smiles:
NC(=S)Nn1c(-c2ccccc2)nc2ccccc2c1=O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 1.85 Num_rotatable_bonds: 2
MolWt: 296.36 Num_heavy_atoms: 21
TPSA: 72.94 NumAromaticRings: 3

Sugarmoiety
SD00012

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