Glycoside
GD024163
Name:
NoneFormula:
C28H38O7Smiles:
CO[C@@H]1O[C@H](COc2ccc(OC3CCCCC3)cc2)[C@H](O)[C@H](O)[C@H]1Oc1ccc(C(C)C)cc1Aglycone:
CC(C)c1ccc(O)cc1.COc1ccc(OC2CCCCC2)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 486.61 | Num_heavy_atoms: | 35 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD09802
Formula: C13H18O2
Smiles:
COc1ccc(OC2CCCCC2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.28 | Num_heavy_atoms: | 15 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
AD16160
Formula: C9H12O
Smiles:
CC(C)c1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.19 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
