Glycoside
...
GD087483

Name:
None

Formula:
C14H21O9N3S2

Smiles:
Cc1nn(C)c2sc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc12

Aglycone:
COS(O)(O)O.Cc1nn(C)c2sc(C(N)=O)cc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.57
AlogP: -0.36 Num_rotatable_bonds: 5
MolWt: 439.47 Num_heavy_atoms: 28
TPSA: 186.76 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
AD31581
Formula: C8H9ON3S

Smiles:
Cc1nn(C)c2sc(C(N)=O)cc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.25
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 195.25 Num_heavy_atoms: 13
TPSA: 60.91 NumAromaticRings: 2

Sugarmoiety
SD00017

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