Glycoside
...
GD080109

Name:
None

Formula:
C14H20O8N4S

Smiles:
Cc1cnc2c(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)nccc2n1

Aglycone:
COS(O)(O)O.Cc1cnc2c(N)nccc2n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.5
AlogP: -0.29 Num_rotatable_bonds: 5
MolWt: 404.4 Num_heavy_atoms: 27
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
AD26479
Formula: C8H8N4

Smiles:
Cc1cnc2c(N)nccc2n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.12
AlogP: 0.92 Num_rotatable_bonds: 0
MolWt: 160.18 Num_heavy_atoms: 12
TPSA: 64.69 NumAromaticRings: 2

Sugarmoiety
SD00017

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