Glycoside
GD107238
Name:
NoneFormula:
C28H42O10Smiles:
COC(=O)[C@@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(=O)COSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 538.63 | Num_heavy_atoms: | 38 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD44244
Formula: C21H32O4
Smiles:
CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(=O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.48 | Num_heavy_atoms: | 25 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
