Glycoside
GD143809
Name:
15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[9.7.0.0³,â¸.0¹²,¹â¶]octadeca-1(18),3,10-trien-14-oneFormula:
C35H50O8Smiles:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(=CCC(OC5OCC(O)C(O)C5O)C4(C)C)CC3=CCC12CAglycone:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(=CCC(O)C4(C)C)CC3=CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.78 | Num_heavy_atoms: | 43 |
| TPSA: | 125.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD57818
Formula: C30H42O4
Smiles:
CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(=CCC(O)C4(C)C)CC3=CCC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.66 | Num_heavy_atoms: | 34 |
| TPSA: | 66.9 | NumAromaticRings: | 0 |
