Glycoside
GD106718
Name:
NoneFormula:
C27H36O11Smiles:
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 191.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD05969
Formula: C21H28O5
Smiles:
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
