Glycoside
GD000531
Name:
NoneFormula:
C24H42O19S2Smiles:
OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](S[C@@H]3[C@H](O)[C@H](S[C@@H]4[C@H](O)C(O)O[C@H](CO)[C@H]4O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCC1OC(S)C(O)C(S)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -8.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 698.72 | Num_heavy_atoms: | 45 |
| TPSA: | 329.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00586
Formula: C6H12O4S2
Smiles:
OCC1OC(S)C(O)C(S)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.29 | Num_heavy_atoms: | 12 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
