Glycoside
GD130623
Name:
2-{4-[5-hydroxy-7-(4-hydroxyphenyl)heptyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H34O8Smiles:
OCC1OC(Oc2ccc(CCCCC(O)CCc3ccc(O)cc3)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(CCCCC(O)CCc2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 462.54 | Num_heavy_atoms: | 33 |
| TPSA: | 139.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD14010
Formula: C19H24O3
Smiles:
Oc1ccc(CCCCC(O)CCc2ccc(O)cc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 300.4 | Num_heavy_atoms: | 22 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
