Glycoside
GD139868
Name:
2-[(4,5-dihydroxy-2-{4,7',9',13'-tetramethyl-5'-oxaspiro[cyclohexane-1,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C46H74O16Smiles:
CC1CCC2(CC1)OC1CC3C4CC=C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(CC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 883.08 | Num_heavy_atoms: | 62 |
| TPSA: | 246.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD56410
Formula: C28H44O2
Smiles:
CC1CCC2(CC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 2 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 412.66 | Num_heavy_atoms: | 30 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
