Glycoside
GD144685
Name:
5-ethenyl-3-[4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C28H36O12Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(CC(=O)CC(O)CCc3ccc(O)cc3)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(CC(=O)CC(O)CCc3ccc(O)cc3)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 564.58 | Num_heavy_atoms: | 40 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD58122
Formula: C22H26O7
Smiles:
C=CC1C(O)OC=C2C(=O)OC(CC(=O)CC(O)CCc3ccc(O)cc3)CC21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
