Glycoside
GD157164
Name:
3-(9a,11a-dimethyl-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)-4-hydroxy-5-[3-methyl-2-(propan-2-yl)oxiran-2-yl]oxolan-2-oneFormula:
C35H54O10Smiles:
CC(C)C1(C2OC(=O)C(C3CCC4C5=CCC6CC(OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC43C)C2O)OC1CAglycone:
CC(C)C1(C2OC(=O)C(C3CCC4C5=CCC6CC(O)CCC6(C)C5CCC43C)C2O)OC1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD62164
Formula: C29H44O5
Smiles:
CC(C)C1(C2OC(=O)C(C3CCC4C5=CCC6CC(O)CCC6(C)C5CCC43C)C2O)OC1C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
