Glycoside
...
GD032104

Name:
None

Formula:
C16H18O7N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(=S)[nH]c3cncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.S=c1[nH]c2cncnc2[nH]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 0.81 Num_rotatable_bonds: 5
MolWt: 410.41 Num_heavy_atoms: 28
TPSA: 134.63 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
AD05758
Formula: C5H4N4S

Smiles:
S=c1[nH]c2cncnc2[nH]1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.02 Num_rotatable_bonds: 0
MolWt: 152.18 Num_heavy_atoms: 10
TPSA: 57.36 NumAromaticRings: 2

Sugarmoiety
SD00105

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