Glycoside
GD153283
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-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C25H32O13Smiles:
COc1cc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(OC4OC(CO)C(O)C(O)C4O)C23)ccc1OAglycone:
COc1cc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD60978
Formula: C19H22O8
Smiles:
COc1cc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(O)C23)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
