Glycoside
...
GD086577

Name:
None

Formula:
C15H28O12NS

Smiles:
COC(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C[C@H]1C(=O)OC

Aglycone:
COC(=O)C1CC([NH3+])CC1C(=O)OC.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 8 FractionCSP3: 0.87
AlogP: -2.75 Num_rotatable_bonds: 7
MolWt: 446.45 Num_heavy_atoms: 29
TPSA: 209.05 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
AD30468
Formula: C9H16O4N

Smiles:
COC(=O)C1CC([NH3+])CC1C(=O)OC
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.78
AlogP: -1.03 Num_rotatable_bonds: 2
MolWt: 202.23 Num_heavy_atoms: 14
TPSA: 80.24 NumAromaticRings: 0

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O