Glycoside
...
GD072294

Name:
None

Formula:
C12H21O9N3S

Smiles:
Cc1cnn(C)c1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.Cc1cnn(C)c1C(N)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.67
AlogP: -1.58 Num_rotatable_bonds: 5
MolWt: 383.38 Num_heavy_atoms: 25
TPSA: 186.76 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
AD25603
Formula: C6H9ON3

Smiles:
Cc1cnn(C)c1C(N)=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: -0.17 Num_rotatable_bonds: 1
MolWt: 139.16 Num_heavy_atoms: 10
TPSA: 60.91 NumAromaticRings: 1

Sugarmoiety
SD00017

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