Glycoside
GD132746
Name:
{3,4,5-trihydroxy-6-[(5-hydroxy-2-methyl-4-oxo-4H-chromen-7-yl)oxy]oxan-2-yl}methyl 6-hydroxy-2,6-dimethylocta-2,7-dienoateFormula:
C26H32O11Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(Oc2cc(O)c3c(=O)cc(C)oc3c2)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC.Cc1cc(=O)c2c(O)cc(O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 176.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD05146
Formula: C10H8O4
Smiles:
Cc1cc(=O)c2c(O)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
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 |
