Glycoside
...
GD096882

Name:
None

Formula:
C16H17O10N2Cl3S

Smiles:
O=C(COc1nc(Cl)c(Cl)cc1Cl)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.NC(=O)COc1nc(Cl)c(Cl)cc1Cl

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.54
AlogP: 0.5 Num_rotatable_bonds: 7
MolWt: 499.71 Num_heavy_atoms: 29
TPSA: 191.06 NumAromaticRings: 1

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
AD37530
Formula: C10H5O2N2Cl3

Smiles:
NC(=O)COc1nc(Cl)c(Cl)cc1Cl
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.91 Num_rotatable_bonds: 3
MolWt: 255.49 Num_heavy_atoms: 14
TPSA: 65.21 NumAromaticRings: 1

Sugarmoiety
SD00017

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