Glycoside
GD125218
Name:
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl 6-hydroxy-2,6-dimethylocta-2,7-dienoateFormula:
C31H34O12Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 598.6 | Num_heavy_atoms: | 43 |
| TPSA: | 207.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
AD16362
Formula: C11H18O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
