Glycoside
GD122961
Name:
3-(9a,11a-dimethyl-2-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-5-[3-methyl-2-(propan-2-yl)oxiran-2-yl]oxolan-2-oneFormula:
C35H52O10Smiles:
CC(C)C1(C2CC(C3C(=O)CC4C5=CCC6CC(OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC43C)C(=O)O2)OC1CAglycone:
CC(C)C1(C2CC(C3C(=O)CC4C5=CCC6CC(O)CCC6(C)C5CCC43C)C(=O)O2)OC1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 632.79 | Num_heavy_atoms: | 45 |
| TPSA: | 155.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD49596
Formula: C29H42O5
Smiles:
CC(C)C1(C2CC(C3C(=O)CC4C5=CCC6CC(O)CCC6(C)C5CCC43C)C(=O)O2)OC1C| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.65 | Num_heavy_atoms: | 34 |
| TPSA: | 76.13 | NumAromaticRings: | 0 |
