Glycoside
...
GD089797

Name:
None

Formula:
C17H25O8N3S

Smiles:
CC(C)c1ccc2ncnc(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2c1

Aglycone:
CC(C)c1ccc2ncnc(N)c2c1.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.53
AlogP: 1.13 Num_rotatable_bonds: 6
MolWt: 431.47 Num_heavy_atoms: 29
TPSA: 177.65 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD30037
Formula: C11H13N3

Smiles:
CC(C)c1ccc2ncnc(N)c2c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 2.34 Num_rotatable_bonds: 1
MolWt: 187.25 Num_heavy_atoms: 14
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O