Glycoside
GD123057
Name:
16'-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-19'-oneFormula:
C43H68O17Smiles:
CC1CCC2(OC1)OC1CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 857.0 | Num_heavy_atoms: | 60 |
| TPSA: | 252.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD18298
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
