Glycoside
...
GD086776

Name:
None

Formula:
C13H18O9N3ClS2

Smiles:
O=C(CSc1cncc(Cl)n1)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.NC(=O)CSc1cncc(Cl)n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: -0.7 Num_rotatable_bonds: 7
MolWt: 447.88 Num_heavy_atoms: 27
TPSA: 194.72 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
AD30761
Formula: C7H6ON3ClS

Smiles:
NC(=O)CSc1cncc(Cl)n1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 0.71 Num_rotatable_bonds: 3
MolWt: 203.65 Num_heavy_atoms: 12
TPSA: 68.87 NumAromaticRings: 1

Sugarmoiety
SD00017

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