Glycoside
GD122820
Name:
7-methyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-4-carboxylic acidFormula:
C16H22O10Smiles:
CC1=C2C(=O)OCC(C(=O)O)C2CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=C2C(=O)OCC(C(=O)O)C2CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD49532
Formula: C10H12O5
Smiles:
CC1=C2C(=O)OCC(C(=O)O)C2CC1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
