Glycoside
GD128378
Name:
5-(furan-3-yl)-3,11-dimethyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,â¸.0¹³,¹âµ]heptadecane-7,17-dioneFormula:
C26H32O12Smiles:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2OC(=O)C1(OC1OC(CO)C(O)C(O)C1O)C1OC21Aglycone:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2OC(=O)C1(O)C1OC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 177.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD48828
Formula: C20H22O7
Smiles:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2OC(=O)C1(O)C1OC21| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 98.5 | NumAromaticRings: | 1 |
