Glycoside
GD147546
Name:
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C25H30O12Smiles:
COc1cc(C=CC(=O)OCC2=CC(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)ccc1OAglycone:
COc1cc(C=CC(=O)OCC2=CC(O)C3C=COC(O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD59083
Formula: C19H20O7
Smiles:
COc1cc(C=CC(=O)OCC2=CC(O)C3C=COC(O)C23)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
