Glycoside
...
GD027629

Name:
None

Formula:
C27H23O8N2Cl3S2

Smiles:
O=S(=O)(N[C@@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H](O)[C@H]1O)c1cccc(-c2ccc(Cl)cc2)c1

Aglycone:
CNS(=O)(=O)c1cccc(Cl)c1Cl.NS(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.25
AlogP: 2.38 Num_rotatable_bonds: 8
MolWt: 637.95 Num_heavy_atoms: 39
TPSA: 162.26 NumAromaticRings: 3

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
AD18136
Formula: C13H10O2NClS

Smiles:
NS(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.65 Num_rotatable_bonds: 2
MolWt: 267.74 Num_heavy_atoms: 17
TPSA: 60.16 NumAromaticRings: 2

Sugarmoiety
SD00017

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