Glycoside
...
GD063777

Name:
None

Formula:
C11H16O8N3ClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2cncc(Cl)n2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cncc(Cl)n1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.6
AlogP: -0.5 Num_rotatable_bonds: 5
MolWt: 373.77 Num_heavy_atoms: 23
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
AD30678
Formula: C5H4N3Cl

Smiles:
Nc1cncc(Cl)n1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.71 Num_rotatable_bonds: 0
MolWt: 129.55 Num_heavy_atoms: 8
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00017

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