Glycoside
GD139569
Name:
3,4,5-trihydroxy-6-{4-[4-(4-hydroxyphenyl)hexan-3-yl]phenoxy}oxane-2-carboxylic acidFormula:
C24H30O8Smiles:
CCC(c1ccc(O)cc1)C(CC)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1Aglycone:
CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD56280
Formula: C18H22O2
Smiles:
CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.37 | Num_heavy_atoms: | 20 |
| TPSA: | 40.46 | NumAromaticRings: | 2 |
