Glycoside
...
GD071569

Name:
None

Formula:
C13H27O9N2S

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

Aglycone:
CC(C)[NH+]1CCC1C(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 8 FractionCSP3: 0.92
AlogP: -2.87 Num_rotatable_bonds: 6
MolWt: 387.43 Num_heavy_atoms: 25
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
AD25573
Formula: C7H15ON2

Smiles:
CC(C)[NH+]1CCC1C(N)=O
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.86
AlogP: -1.46 Num_rotatable_bonds: 2
MolWt: 143.21 Num_heavy_atoms: 10
TPSA: 47.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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