Glycoside
GD154111
Name:
4a,5-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-(3,4-dimethoxyphenyl)prop-2-enoateFormula:
C26H34O13Smiles:
COc1ccc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(OC4OC(CO)C(O)C(O)C4O)C23)cc1OCAglycone:
COc1ccc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(O)C23)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD61251
Formula: C20H24O8
Smiles:
COc1ccc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(O)C23)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
