Glycoside
GD071488
Name:
NoneFormula:
C10H22O10NS2Smiles:
O=S1(=O)CC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1Aglycone:
COS(O)(O)O.[NH3+]C1CCS(=O)(=O)C1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.42 | Num_heavy_atoms: | 23 |
| 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 |
AD25029
Formula: C4H10O2NS
Smiles:
[NH3+]C1CCS(=O)(=O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.2 | Num_heavy_atoms: | 8 |
| TPSA: | 61.78 | NumAromaticRings: | 0 |
