Glycoside
GD130596
Name:
7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carbaldehydeFormula:
C16H22O8Smiles:
CC1=CCC2C(C=O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1=CCC2C(C=O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.34 | Num_heavy_atoms: | 24 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD52924
Formula: C10H12O3
Smiles:
CC1=CCC2C(C=O)=COC(O)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
