Glycoside
GD141450
Name:
7-methyl 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4,7-dicarboxylateFormula:
C23H34O16Smiles:
COC(=O)C1CCC2C(C(=O)OC3OC(CO)C(O)C(O)C3O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
COC(=O)C1CCC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -4.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.51 | Num_heavy_atoms: | 39 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD56741
Formula: C11H14O6
Smiles:
COC(=O)C1CCC2C(C(=O)O)=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
