Glycoside
...
GD089872

Name:
None

Formula:
C15H24O8N3ClS

Smiles:
CCc1c(Cl)nnc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1CC

Aglycone:
CCc1c(N)nnc(Cl)c1CC.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.71
AlogP: 0.63 Num_rotatable_bonds: 7
MolWt: 429.88 Num_heavy_atoms: 27
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
AD30032
Formula: C9H12N3Cl

Smiles:
CCc1c(N)nnc(Cl)c1CC
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: 1.84 Num_rotatable_bonds: 2
MolWt: 185.66 Num_heavy_atoms: 12
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00017

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