Glycoside
GD107081
Name:
NoneFormula:
C27H40O10Smiles:
C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
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: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.61 | Num_heavy_atoms: | 37 |
| TPSA: | 170.82 | 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 |
