Glycoside
GD150570
Name:
methyl 1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy}-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C18H28O9Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2OC)C2C(C)CCC12Aglycone:
COC(=O)C1=COC(O)C2C(C)CCC12Sugarmoiety:
COC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.41 | Num_heavy_atoms: | 27 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD11261
Formula: C11H16O4
Smiles:
COC(=O)C1=COC(O)C2C(C)CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.24 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
