Glycoside
GD146539
Name:
methyl 4a,6-dihydroxy-7-methyl-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C17H22O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)=C(O)C(=O)C12OAglycone:
COC(=O)C1=COC(O)C2C(C)=C(O)C(=O)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.35 | Num_heavy_atoms: | 29 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD58751
Formula: C11H12O7
Smiles:
COC(=O)C1=COC(O)C2C(C)=C(O)C(=O)C12O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.21 | Num_heavy_atoms: | 18 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
