Glycoside
...
GD035054

Name:
None

Formula:
C21H23O11N3S

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)n2sc3ncccc3c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)n1sc2ncccc2c1=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 0.1 Num_rotatable_bonds: 6
MolWt: 525.49 Num_heavy_atoms: 36
TPSA: 178.42 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
AD20484
Formula: C7H5O2N3S

Smiles:
NC(=O)n1sc2ncccc2c1=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.38 Num_rotatable_bonds: 0
MolWt: 195.2 Num_heavy_atoms: 13
TPSA: 77.98 NumAromaticRings: 2

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O