Glycoside
GD144392
Name:
2-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}-6-{5,9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-2'-oloxy}oxane-3,4,5-triolFormula:
C44H70O18Smiles:
CC1CCC2(CC3C(CC4(O)C5CC=C6CC(OC7OC(COC8OC(COC9OC(C)C(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7O)CCC6(C)C5CCC34C)O2)OC1Aglycone:
CC1CCC2(CC3C(CC4(O)C5CC=C6CC(O)CCC6(C)C5CCC34C)O2)OC1Sugarmoiety:
CC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 887.03 | Num_heavy_atoms: | 62 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD57115
Formula: C26H40O4
Smiles:
CC1CCC2(CC3C(CC4(O)C5CC=C6CC(O)CCC6(C)C5CCC34C)O2)OC1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.6 | Num_heavy_atoms: | 30 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
