Glycoside
GD072119
Name:
NoneFormula:
C10H21O11NS2Smiles:
CS(=O)(=O)CCC(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.CS(=O)(=O)CCC(N)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.41 | Num_heavy_atoms: | 24 |
| TPSA: | 203.08 | 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 |
AD26246
Formula: C4H9O3NS
Smiles:
CS(=O)(=O)CCC(N)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 151.19 | Num_heavy_atoms: | 9 |
| TPSA: | 77.23 | NumAromaticRings: | 0 |
