Glycoside
GD081168
Name:
NoneFormula:
C13H28O10NS2Smiles:
CS(=O)(=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)CC1Aglycone:
COS(O)(O)O.CS(=O)(=O)C1CCC([NH3+])CC1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.5 | Num_heavy_atoms: | 26 |
| TPSA: | 190.59 | 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 |
AD29051
Formula: C7H16O2NS
Smiles:
CS(=O)(=O)C1CCC([NH3+])CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.28 | Num_heavy_atoms: | 11 |
| TPSA: | 61.78 | NumAromaticRings: | 0 |
