Glycoside
GD032333
Name:
2-{[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl 3-phenylprop-2-enoateFormula:
C33H36O11Smiles:
O=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OC(=O)C=Cc1ccccc1Aglycone:
O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 608.64 | Num_heavy_atoms: | 44 |
| TPSA: | 183.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD02197
Formula: C19H22O6
Smiles:
O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
