Glycoside
GD029208
Name:
25-O-Acetylcimigenol 3-O-Alpha-L-ArabinopyranosideFormula:
C37H58O10Smiles:
CC(=O)OC(C)(C)[C@@H]1O[C@@]23O[C@H]1C[C@H](C)C2[C@]1(C)CC[C@@]24C[C@]25CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC[C@H]4[C@@]1(C)[C@H]3OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 144.14 | 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 |
