Glycoside
GD036525
Name:
NoneFormula:
C29H42O10Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[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](OC)C(=CC[C@@H]43)[C@H]56)C2)[C@@H]1OAglycone:
COC1OC2(C)OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C1C32Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 550.65 | Num_heavy_atoms: | 39 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD23024
Formula: C22H30O6
Smiles:
COC1OC2(C)OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C1C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
