Glycoside
GD134838
Name:
(6-{[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4-dimethoxyphenyl)prop-2-enoateFormula:
C36H42O13Smiles:
COc1ccc(C=CC(=O)OCC2OC(OC(CCc3ccc(O)cc3)CC(=O)CCc3ccc(O)c(O)c3)C(O)C(O)C2O)cc1OCAglycone:
COC(=O)C=Cc1ccc(OC)c(OC)c1.O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 16 |
| MolWt: | 682.72 | Num_heavy_atoms: | 49 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD07423
Formula: C12H14O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
AD47931
Formula: C19H22O5
Smiles:
O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 330.38 | Num_heavy_atoms: | 24 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
