Glycoside
GD022156
Name:
6-Methoxykaempferol-3-O-(6-E-Feruloyl)-Beta-D-GlucopyranosideFormula:
C32H30O15Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)c(OC)c(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.58 | Num_heavy_atoms: | 47 |
| TPSA: | 235.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD04392
Formula: C16H12O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
