Glycoside
...
GD018980

Name:
None

Formula:
C21H27O9N3S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NNc2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)NNc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 3 FractionCSP3: 0.48
AlogP: 0.56 Num_rotatable_bonds: 8
MolWt: 497.53 Num_heavy_atoms: 34
TPSA: 150.52 NumAromaticRings: 1

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
AD13301
Formula: C7H9N3S

Smiles:
NC(=S)NNc1ccccc1
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.85 Num_rotatable_bonds: 2
MolWt: 167.24 Num_heavy_atoms: 11
TPSA: 50.08 NumAromaticRings: 1

Sugarmoiety
SD00012

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