Glycoside
GD151213
Name:
methyl 7-(hydroxymethyl)-4a-methyl-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H36O14Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C2C(CO)=CCC12CAglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.54 | Num_heavy_atoms: | 38 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD60327
Formula: C12H16O5
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
