Glycoside
...
GD001999

Name:
None

Formula:
C21H26O9N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=Cc2ccncc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)NN=Cc1ccncc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.48
AlogP: -0.04 Num_rotatable_bonds: 8
MolWt: 510.53 Num_heavy_atoms: 35
TPSA: 163.74 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
AD01945
Formula: C7H8N4S

Smiles:
NC(=S)NN=Cc1ccncc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.25 Num_rotatable_bonds: 2
MolWt: 180.24 Num_heavy_atoms: 12
TPSA: 63.3 NumAromaticRings: 1

Sugarmoiety
SD00012

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