Glycoside
...
GD025231

Name:
None

Formula:
C21H25O9N5S

Smiles:
C=CCn1c(=S)n(C2OC(COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2nc(NC(C)=O)nc(O)c21

Aglycone:
C=CCn1c(=S)[nH]c2nc(NC(C)=O)nc(O)c21.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 1.14 Num_rotatable_bonds: 8
MolWt: 523.52 Num_heavy_atoms: 36
TPSA: 173.1 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
AD16755
Formula: C10H11O2N5S

Smiles:
C=CCn1c(=S)[nH]c2nc(NC(C)=O)nc(O)c21
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.2
AlogP: 1.34 Num_rotatable_bonds: 3
MolWt: 265.3 Num_heavy_atoms: 18
TPSA: 95.83 NumAromaticRings: 2

Sugarmoiety
SD00105

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