Glycoside
GD123226
Name:
4a,5-dihydroxy-7,7a-dimethyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C26H34O12Smiles:
COc1ccc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(OC4OC(CO)C(O)C(O)C4O)C23C)cc1Aglycone:
COc1ccc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(O)C23C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD49711
Formula: C20H24O7
Smiles:
COc1ccc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(O)C23C)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
