Glycoside
GD123815
Name:
3-methoxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbaldehydeFormula:
C17H26O9Smiles:
COC1OC(OC2OC(CO)C(O)C(O)C2O)C2C(=C1C=O)CCC2CAglycone:
COC1OC(O)C2C(=C1C=O)CCC2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.39 | Num_heavy_atoms: | 26 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49988
Formula: C11H16O4
Smiles:
COC1OC(O)C2C(=C1C=O)CCC2C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.24 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
