Glycoside
...
GD096492

Name:
None

Formula:
C19H24O11NClS

Smiles:
O=C(/C=C(\O)c1ccc(Cl)cc1)CCC(=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.NC(=O)CCC(=O)C=C(O)c1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 0.44
AlogP: 0.67 Num_rotatable_bonds: 9
MolWt: 497.91 Num_heavy_atoms: 32
TPSA: 206.24 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
AD37224
Formula: C13H12O3NCl

Smiles:
NC(=O)CCC(=O)C=C(O)c1ccc(Cl)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.17
AlogP: 2.07 Num_rotatable_bonds: 5
MolWt: 253.69 Num_heavy_atoms: 17
TPSA: 80.39 NumAromaticRings: 1

Sugarmoiety
SD00017

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