Glycoside
GD152489
Name:
methyl 7-(hydroxymethyl)-4a-methyl-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H36O15Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C(CO)=CCC12CAglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.54 | Num_heavy_atoms: | 39 |
| TPSA: | 234.29 | 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 |
