Glycoside
GD136138
Name:
methyl 4-hydroxy-4,5-dimethyl-3,7-dioxo-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,5H,7H,8H,8aH,12H,12aH-pyrano[3,4-g][1,5]dioxecine-9-carboxylateFormula:
C21H30O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2COC(=O)C(C)(O)C(C)OC(=O)CC12Aglycone:
COC(=O)C1=COC(O)C2COC(=O)C(C)(O)C(C)OC(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD55030
Formula: C15H20O9
Smiles:
COC(=O)C1=COC(O)C2COC(=O)C(C)(O)C(C)OC(=O)CC12| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
