Glycoside
...
GD005974

Name:
None

Formula:
C19H17O8N2Cl3S3

Smiles:
O=S(=O)(N[C@@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H](O)[C@H]1O)c1ccc(Cl)s1

Aglycone:
CNS(=O)(=O)c1cccc(Cl)c1Cl.NS(=O)(=O)c1ccc(Cl)s1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.38
AlogP: 0.77 Num_rotatable_bonds: 7
MolWt: 567.88 Num_heavy_atoms: 32
TPSA: 162.26 NumAromaticRings: 2

Unique Aglycone
AD00037
Formula: C9H7O2NCl2S

Smiles:
CNS(=O)(=O)c1cccc(Cl)c1Cl
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.9 Num_rotatable_bonds: 2
MolWt: 240.11 Num_heavy_atoms: 13
TPSA: 46.17 NumAromaticRings: 1
AD04991
Formula: C5H4O2NClS2

Smiles:
NS(=O)(=O)c1ccc(Cl)s1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.05 Num_rotatable_bonds: 1
MolWt: 197.67 Num_heavy_atoms: 10
TPSA: 60.16 NumAromaticRings: 1

Sugarmoiety
SD00017

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