Glycoside
GD027429
Name:
7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbaldehydeFormula:
C16H24O8Smiles:
C[C@@H]1CC[C@@H]2C(C=O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1CCC2C(C=O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.36 | Num_heavy_atoms: | 24 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD18028
Formula: C10H14O3
Smiles:
CC1CCC2C(C=O)=COC(O)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
