Glycoside
...
GD096261

Name:
None

Formula:
C20H30O9N2ClS

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1

Aglycone:
COS(O)(O)O.NC(=O)C1CCC[NH+](Cc2ccc(Cl)cc2)C1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.63
AlogP: -0.79 Num_rotatable_bonds: 7
MolWt: 497.97 Num_heavy_atoms: 32
TPSA: 173.38 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
AD37211
Formula: C14H18ON2Cl

Smiles:
NC(=O)C1CCC[NH+](Cc2ccc(Cl)cc2)C1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.46
AlogP: 0.62 Num_rotatable_bonds: 3
MolWt: 253.75 Num_heavy_atoms: 17
TPSA: 47.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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