Glycoside
GD149388
Name:
8-hydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-15-yl acetateFormula:
C33H52O9Smiles:
CC(=O)OC1CC2C3(C)CC4OC(O)CC(C)C4C3(C)CCC23CC32CCC(OC3OCC(O)C(O)C3O)C(C)(C)C12Aglycone:
CC(=O)OC1CC2C3(C)CC4OC(O)CC(C)C4C3(C)CCC23CC32CCC(O)C(C)(C)C12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 592.77 | Num_heavy_atoms: | 42 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD59750
Formula: C28H44O5
Smiles:
CC(=O)OC1CC2C3(C)CC4OC(O)CC(C)C4C3(C)CCC23CC32CCC(O)C(C)(C)C12| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
