Glycoside
GD004219
Name:
3,4,5-trihydroxy-6-{4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy}oxane-2-carboxylic acidFormula:
C24H28O8Smiles:
CCC(=C(CC)c1ccc(OC2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1Aglycone:
CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.48 | Num_heavy_atoms: | 32 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD03713
Formula: C18H20O2
Smiles:
CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.36 | Num_heavy_atoms: | 20 |
| TPSA: | 40.46 | NumAromaticRings: | 2 |
