Glycoside
GD026786
Name:
21-(2-hydroxypropan-2-yl)-1,3,12,12,17-pentamethyl-11-[(3,4,5-trihydroxyoxan-2-yl)oxy]-20,24-dioxaheptacyclo[19.2.1.0²,¹â¹.0³,¹â·.0â¶,â¸.0â¶,¹â¶.0â¸,¹³]tetracosan-18-yl acetateFormula:
C37H58O10Smiles:
CC(=O)O[C@@H]1[C@@H]2O[C@]3(C(C)(C)O)CC[C@](C)(O3)[C@H]2[C@]2(C)CC[C@@]34C[C@]35CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]5CC[C@H]4[C@]12CAglycone:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD17644
Formula: C32H50O6
Smiles:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C12C| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
