Glycoside
GD009498
Name:
25-O-Acetylcimigenol-3-O-[3'-O-Acetyl]-Beta-D-XylopyranosideFormula:
C39H60O11Smiles:
CC(=O)O[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](C)C[C@@H]7O[C@@]6(O[C@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@H]5CC[C@H]4C2(C)C)OC[C@H]1OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 704.9 | Num_heavy_atoms: | 50 |
| TPSA: | 150.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06682
Formula: C32H50O6
Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
