Glycoside
GD004383
Name:
NoneFormula:
C25H26O6Smiles:
CO[C@@H]1O[C@H](COc2ccc(-c3ccccc3)cc2)[C@H](O)[C@H](O)[C@H]1Oc1ccccc1Aglycone:
COc1ccc(-c2ccccc2)cc1.Oc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.48 | Num_heavy_atoms: | 31 |
| TPSA: | 77.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD03837
Formula: C13H12O
Smiles:
COc1ccc(-c2ccccc2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.24 | Num_heavy_atoms: | 14 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
