Glycoside
GD111210
Name:
(6-{[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4-dimethoxyphenyl)prop-2-enoateFormula:
C36H42O12Smiles:
COc1ccc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H](CCc3ccc(O)cc3)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc1OCAglycone:
COC(=O)C=Cc1ccc(OC)c(OC)c1.O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 16 |
| MolWt: | 666.72 | Num_heavy_atoms: | 48 |
| TPSA: | 181.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD02986
Formula: C19H22O4
Smiles:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 314.38 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
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 |
