Glycoside
...
GD077542

Name:
None

Formula:
C15H18O6N4S

Smiles:
CO[C@@H]1[C@H](OC(C)=O)[C@H](n2cnc3c(=S)[nH]cnc32)O[C@@H]1COC(C)=O

Aglycone:
COC(C)=O.S=c1[nH]cnc2c1N=C[N]2

Sugarmoiety:
COC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 1 FractionCSP3: 0.53
AlogP: 0.9 Num_rotatable_bonds: 5
MolWt: 382.4 Num_heavy_atoms: 26
TPSA: 117.56 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
AD25255
Formula: C5H3N4S

Smiles:
S=c1[nH]cnc2c1N=C[N]2
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 1.05 Num_rotatable_bonds: 0
MolWt: 151.17 Num_heavy_atoms: 10
TPSA: 55.14 NumAromaticRings: 1

Sugarmoiety
SD04021

COC1C(O)OC(O)C1OC(C)=O