Glycoside
GD022278
Name:
PANICULATUMOSIDE BFormula:
C28H40O9Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)O[C@H](O)C(=CC[C@H]43)[C@H]56)C2)O[C@H](C)[C@H]1OAglycone:
CC12OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C(C(O)O1)C32Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.62 | Num_heavy_atoms: | 37 |
| TPSA: | 112.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD15121
Formula: C21H28O6
Smiles:
CC12OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C(C(O)O1)C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
