Glycoside
GD124694
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-methyl-1-oxo-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-4-carboxylateFormula:
C16H22O9Smiles:
CC1=C2C(=O)OCC(C(=O)OC3OC(CO)C(O)C(O)C3O)C2CC1Aglycone:
CC1=C2C(=O)OCC(C(=O)O)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD50390
Formula: C10H12O4
Smiles:
CC1=C2C(=O)OCC(C(=O)O)C2CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
