Glycoside
GD123289
Name:
2-{4,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-19'-oloxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C39H64O14Smiles:
CC1CCOC2(C1)OC1CC3C4CC(O)C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCOC2(C1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD49738
Formula: C27H44O4
Smiles:
CC1CCOC2(C1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
