Glycoside
GD153454
Name:
2-{[2-hydroxy-6-(hydroxymethyl)-4-({5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-16'-ylperoxy}methyl)-3-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}cyclohexyl]oxy}-6-methyloxane-3,4,5-triolFormula:
C48H78O16Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OOCC6CC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6COC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OOCC6CC(CO)C(O)C(O)C6CO)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 911.14 | Num_heavy_atoms: | 64 |
| TPSA: | 235.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD61030
Formula: C36H58O8
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OOCC6CC(CO)C(O)C(O)C6CO)CCC5(C)C4CCC3(C)C1C2C| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
