Glycoside
GD007641
Name:
NoneFormula:
C18H26O8SSmiles:
OC[C@@H]1O[C@H](S[C@@H]2CO[C@H](OCc3ccccc3)[C@H](O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
OC1CC(S)COC1OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.47 | Num_heavy_atoms: | 27 |
| TPSA: | 128.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD06197
Formula: C12H16O3S
Smiles:
OC1CC(S)COC1OCc1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.32 | Num_heavy_atoms: | 16 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
