Glycoside
GD119271
Name:
ethyl 7-[(acetyloxy)methyl]-5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C20H28O12Smiles:
CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(C)=O)=CC(O)C12Aglycone:
CCOC(=O)C1=COC(O)C2C(COC(C)=O)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.43 | Num_heavy_atoms: | 32 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD47754
Formula: C14H18O7
Smiles:
CCOC(=O)C1=COC(O)C2C(COC(C)=O)=CC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.29 | Num_heavy_atoms: | 21 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
