Glycoside
...
GD072453

Name:
None

Formula:
C13H18O8N4S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2ncnc3cnccc23)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ncnc2cnccc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.46
AlogP: -0.6 Num_rotatable_bonds: 5
MolWt: 390.37 Num_heavy_atoms: 26
TPSA: 190.54 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
AD26376
Formula: C7H6N4

Smiles:
Nc1ncnc2cnccc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.61 Num_rotatable_bonds: 0
MolWt: 146.15 Num_heavy_atoms: 11
TPSA: 64.69 NumAromaticRings: 2

Sugarmoiety
SD00017

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