Glycoside
...
GD032978

Name:
None

Formula:
C18H29O12NS

Smiles:
CCC(=O)O[C@@H]1[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)O[C@@H]1COS(N)(=O)=O

Aglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.COS(N)(=O)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 2 FractionCSP3: 0.78
AlogP: -0.15 Num_rotatable_bonds: 11
MolWt: 483.49 Num_heavy_atoms: 32
TPSA: 183.82 NumAromaticRings: 0

Unique Aglycone
AD00036
Formula: CH5O3NS

Smiles:
COS(N)(=O)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -1.16 Num_rotatable_bonds: 1
MolWt: 111.12 Num_heavy_atoms: 6
TPSA: 69.39 NumAromaticRings: 0
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00017

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