Glycoside
GD106727
Name:
NoneFormula:
C28H37O11FSmiles:
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 568.59 | Num_heavy_atoms: | 40 |
| TPSA: | 191.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD14860
Formula: C22H29O5F
Smiles:
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 392.47 | Num_heavy_atoms: | 28 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
