Glycoside
GD071203
Name:
ReptosideFormula:
C17H26O10Smiles:
CC(=O)O[C@@]1(C)CC[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21Aglycone:
CC(=O)OC1(C)CCC2(O)C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD08966
Formula: C11H16O5
Smiles:
CC(=O)OC1(C)CCC2(O)C=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
