Glycoside
GD086485
Name:
NoneFormula:
C12H25O12NS2Smiles:
COC(=O)CCCCS(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COC(=O)CCCCS(N)(=O)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 439.46 | Num_heavy_atoms: | 27 |
| TPSA: | 212.31 | 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 |
AD30417
Formula: C6H13O4NS
Smiles:
COC(=O)CCCCS(N)(=O)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 195.24 | Num_heavy_atoms: | 12 |
| TPSA: | 86.46 | NumAromaticRings: | 0 |
