Glycoside
GD033504
Name:
NoneFormula:
C21H34O11SSmiles:
COC(=O)[C@@H]1C[C@H](OC(=O)C(C)(C)C)[C@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]1C(=O)OCAglycone:
COC(=O)C1CC(S)C(OC(=O)C(C)(C)C)CC1C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.56 | Num_heavy_atoms: | 33 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD21385
Formula: C15H24O6S
Smiles:
COC(=O)C1CC(S)C(OC(=O)C(C)(C)C)CC1C(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.42 | Num_heavy_atoms: | 22 |
| TPSA: | 78.9 | NumAromaticRings: | 0 |
