Glycoside
...
GD026724

Name:
None

Formula:
C25H30O10N4S

Smiles:
CCN1C(=O)C(=NNC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2ccccc21

Aglycone:
CCN1C(=O)C(=NNC(N)=S)c2ccccc21.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 0.3 Num_rotatable_bonds: 8
MolWt: 578.6 Num_heavy_atoms: 40
TPSA: 171.16 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
AD17601
Formula: C11H12ON4S

Smiles:
CCN1C(=O)C(=NNC(N)=S)c2ccccc21
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.18
AlogP: 0.59 Num_rotatable_bonds: 2
MolWt: 248.31 Num_heavy_atoms: 17
TPSA: 70.72 NumAromaticRings: 1

Sugarmoiety
SD00012

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