Glycoside
GD008745
Name:
NoneFormula:
C25H32O8Smiles:
CCCO[C@@H]1[C@H](OC(C)=O)[C@H](Oc2ccc(OC)cc2)O[C@H](COCc2ccccc2)[C@H]1OAglycone:
COCc1ccccc1.COc1ccc(O)cc1Sugarmoiety:
CCCOC1C(OC(C)=O)OOC(O)C1O.COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 460.52 | Num_heavy_atoms: | 33 |
| TPSA: | 92.68 | 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 |
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
