Glycoside
...
GD071849

Name:
None

Formula:
C13H21O8N3S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2ccnc(C3CC3)n2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ccnc(C2CC2)n1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.69
AlogP: -0.27 Num_rotatable_bonds: 6
MolWt: 379.39 Num_heavy_atoms: 25
TPSA: 177.65 NumAromaticRings: 1

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
AD33735
Formula: C7H9N3

Smiles:
Nc1ccnc(C2CC2)n1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.43
AlogP: 0.94 Num_rotatable_bonds: 1
MolWt: 135.17 Num_heavy_atoms: 10
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00017

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