Glycoside
GD118573
Name:
methyl 4-hydroxy-4-(hydroxymethyl)-1,5-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:
C22H32O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(=O)C(O)(CO)C(C)OC(=O)CC12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(=O)C(O)(CO)C(C)OC(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -3.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.48 | Num_heavy_atoms: | 37 |
| TPSA: | 227.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD47428
Formula: C16H22O10
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(=O)C(O)(CO)C(C)OC(=O)CC12| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
