Glycoside
GD020886
Name:
NoneFormula:
C19H34O14S2Smiles:
CO[C@@H]1O[C@H](CO[C@@H]2S[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2S[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
COC1SC(CO)C(O)C(O)C1O.OCC1SC(O)C(O)C(O)C1OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -5.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.6 | Num_heavy_atoms: | 35 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00264
Formula: C6H12O5S
Smiles:
OCC1SC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.22 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
AD13152
Formula: C7H14O5S
Smiles:
COC1SC(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.25 | Num_heavy_atoms: | 13 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
