Glycoside
GD129644
Name:
9-cyclobutyl-13-hydroxy-14-methyl-2-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dioneFormula:
C35H52O9Smiles:
COC1C(C)OC(OC2CC3C=CC4C5CC(=O)OC(C6CCC6)CCCC(O)C(C)C(=O)C5=CC4C3C2)C(OC)C1OCAglycone:
CC1C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)OC(C2CCC2)CCCC1OSugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 616.79 | Num_heavy_atoms: | 44 |
| TPSA: | 109.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD52519
Formula: C26H36O5
Smiles:
CC1C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)OC(C2CCC2)CCCC1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 428.57 | Num_heavy_atoms: | 31 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
