Glycoside
...
GD079782

Name:
None

Formula:
C15H21O9N3S

Smiles:
Cn1cnc2c(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cccc21

Aglycone:
COS(O)(O)O.Cn1cnc2c(C(N)=O)cccc21

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: -0.73 Num_rotatable_bonds: 5
MolWt: 419.41 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
AD27622
Formula: C9H9ON3

Smiles:
Cn1cnc2c(C(N)=O)cccc21
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 0.67 Num_rotatable_bonds: 1
MolWt: 175.19 Num_heavy_atoms: 13
TPSA: 60.91 NumAromaticRings: 2

Sugarmoiety
SD00017

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