Glycoside
...
GD096562

Name:
None

Formula:
C18H21O9N2ClS

Smiles:
Cc1cnc2c(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c(Cl)ccc2c1

Aglycone:
COS(O)(O)O.Cc1cnc2c(C(N)=O)c(Cl)ccc2c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.41
AlogP: 0.89 Num_rotatable_bonds: 5
MolWt: 464.88 Num_heavy_atoms: 30
TPSA: 181.83 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
AD41055
Formula: C12H9ON2Cl

Smiles:
Cc1cnc2c(C(N)=O)c(Cl)ccc2c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.3 Num_rotatable_bonds: 1
MolWt: 220.66 Num_heavy_atoms: 15
TPSA: 55.98 NumAromaticRings: 2

Sugarmoiety
SD00017

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