Glycoside
...
GD097346

Name:
None

Formula:
C19H23O9N2ClS

Smiles:
Cn1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ccc1-c1ccc(Cl)cc1

Aglycone:
COS(O)(O)O.Cn1c(C(N)=O)ccc1-c1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.39
AlogP: 1.04 Num_rotatable_bonds: 6
MolWt: 478.91 Num_heavy_atoms: 31
TPSA: 173.87 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
AD41384
Formula: C13H11ON2Cl

Smiles:
Cn1c(C(N)=O)ccc1-c1ccc(Cl)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.44 Num_rotatable_bonds: 2
MolWt: 234.69 Num_heavy_atoms: 16
TPSA: 48.02 NumAromaticRings: 2

Sugarmoiety
SD00017

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