Glycoside
...
GD097350

Name:
None

Formula:
C19H22O9N3ClS

Smiles:
Cc1cc(-c2cncc(Cl)n2)ccc1C(=O)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.Cc1cc(-c2cncc(Cl)n2)ccc1C(N)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.39
AlogP: 0.8 Num_rotatable_bonds: 6
MolWt: 491.91 Num_heavy_atoms: 32
TPSA: 194.72 NumAromaticRings: 2

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
AD37868
Formula: C13H10ON3Cl

Smiles:
Cc1cc(-c2cncc(Cl)n2)ccc1C(N)=O
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.2 Num_rotatable_bonds: 2
MolWt: 247.69 Num_heavy_atoms: 17
TPSA: 68.87 NumAromaticRings: 2

Sugarmoiety
SD00017

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