Glycoside
...
GD095480

Name:
None

Formula:
C18H34O12NS

Smiles:
CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
CCOC(=O)C1(C(=O)OCC)CCC([NH3+])CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 8 FractionCSP3: 0.89
AlogP: -1.43 Num_rotatable_bonds: 9
MolWt: 488.53 Num_heavy_atoms: 32
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
AD37046
Formula: C12H22O4N

Smiles:
CCOC(=O)C1(C(=O)OCC)CCC([NH3+])CC1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.83
AlogP: 0.28 Num_rotatable_bonds: 4
MolWt: 244.31 Num_heavy_atoms: 17
TPSA: 80.24 NumAromaticRings: 0

Sugarmoiety
SD03900

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