Glycoside
GD124098
Name:
methyl 7-[(acetyloxy)methyl]-7-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C19H28O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(O)COC(C)=OAglycone:
COC(=O)C1=COC(O)C2C1CCC2(O)COC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.42 | Num_heavy_atoms: | 31 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD50107
Formula: C13H18O7
Smiles:
COC(=O)C1=COC(O)C2C1CCC2(O)COC(C)=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
