Glycoside
GD153291
Name:
4,7-dimethyl 6-(acetyloxy)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7H-cyclopenta[c]pyran-4,7-dicarboxylateFormula:
C21H28O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2=C1CC(OC(C)=O)C2(C)C(=O)OCAglycone:
COC(=O)C1=COC(O)C2=C1CC(OC(C)=O)C2(C)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.44 | Num_heavy_atoms: | 34 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD60981
Formula: C15H18O8
Smiles:
COC(=O)C1=COC(O)C2=C1CC(OC(C)=O)C2(C)C(=O)OC| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.3 | Num_heavy_atoms: | 23 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
