Glycoside
...
GD095484

Name:
None

Formula:
C16H30O12NS

Smiles:
COC(=O)[C@@H]1CC[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)C1CCC([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: 0.88
AlogP: -2.36 Num_rotatable_bonds: 7
MolWt: 460.48 Num_heavy_atoms: 30
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
AD35093
Formula: C10H18O4N

Smiles:
COC(=O)C1CCC([NH3+])CC1C(=O)OC
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.8
AlogP: -0.64 Num_rotatable_bonds: 2
MolWt: 216.26 Num_heavy_atoms: 15
TPSA: 80.24 NumAromaticRings: 0

Sugarmoiety
SD03900

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