Glycoside
GD106798
Name:
NoneFormula:
C27H42O10Smiles:
C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@H](O)COAglycone:
CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(O)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 526.62 | Num_heavy_atoms: | 37 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD44218
Formula: C21H34O4
Smiles:
CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.5 | Num_heavy_atoms: | 25 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
