Glycoside
...
GD079478

Name:
None

Formula:
C15H33O9N2S

Smiles:
CCCCC[N@@H+](C)CCC(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCCCC[NH+](C)CCC(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 8 FractionCSP3: 0.93
AlogP: -1.84 Num_rotatable_bonds: 11
MolWt: 417.5 Num_heavy_atoms: 27
TPSA: 173.38 NumAromaticRings: 0

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
AD27438
Formula: C9H21ON2

Smiles:
CCCCC[NH+](C)CCC(N)=O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.89
AlogP: -0.43 Num_rotatable_bonds: 7
MolWt: 173.28 Num_heavy_atoms: 12
TPSA: 47.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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