Glycoside
GD143619
Name:
6-methyl-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-3,16'-dioloxy}-[2,2'-bioxane]-3,3',4,4',5,5'-hexolFormula:
C38H62O13Smiles:
CC1COC2(OC3CC4C5CC(OC6(C7OCC(O)C(O)C7O)OC(C)C(O)C(O)C6O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Aglycone:
CC1COC2(OC3CC4C5CC(O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
CC1OC(O)(C2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 726.9 | Num_heavy_atoms: | 51 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD01183
Formula: C27H44O5
Smiles:
CC1COC2(OC3CC4C5CC(O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
