Glycoside
GD115891
Name:
4,7-dimethyl 6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7H-cyclopenta[c]pyran-4,7-dicarboxylateFormula:
C19H26O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2=C1CC(O)C2(C)C(=O)OCAglycone:
COC(=O)C1=COC(O)C2=C1CC(O)C2(C)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.41 | Num_heavy_atoms: | 31 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD45926
Formula: C13H16O7
Smiles:
COC(=O)C1=COC(O)C2=C1CC(O)C2(C)C(=O)OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
