Glycoside
GD014326
Name:
NoneFormula:
C22H28O6Smiles:
CCCO[C@@H]1[C@H](O)[C@H](Oc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1OAglycone:
COCc1ccccc1.Oc1ccccc1Sugarmoiety:
CCCOC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 388.46 | Num_heavy_atoms: | 28 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
