Glycoside
GD131887
Name:
4,7-dimethyl 1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4,7-dicarboxylateFormula:
C18H26O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C(=O)OC)CCC12Aglycone:
COC(=O)C1=COC(O)C2C(C(=O)OC)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.4 | Num_heavy_atoms: | 29 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD53408
Formula: C12H16O6
Smiles:
COC(=O)C1=COC(O)C2C(C(=O)OC)CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
