Glycoside
GD012723
Name:
STYRAXLIGNOLIDE CFormula:
C26H32O11Smiles:
COc1ccc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OAglycone:
COc1ccc(CC2C(=O)OCC2Cc2ccc(O)c(OC)c2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD09561
Formula: C20H22O6
Smiles:
COc1ccc(CC2C(=O)OCC2Cc2ccc(O)c(OC)c2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
