Glycoside
GD020080
Name:
1-{5'-bromo-5-hydroxy-2',5,6',6'-tetramethyl-[2,2'-bioxan]-6-yl}-2,4,7-trihydroxy-4-(hydroxymethyl)-7-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]heptan-3-oneFormula:
C30H53O10BrSmiles:
CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@](O)(CO)C(=O)[C@H](O)C[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O)O1Aglycone:
CC1OC(C2(C)CCC(Br)C(C)(C)O2)CCC1(C)O.CCC(O)C1(C)CCC(C(C)(C)O)O1Sugarmoiety:
O=C(C(O)O)C(O)(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 653.65 | Num_heavy_atoms: | 41 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD13921
Formula: C15H27O3Br
Smiles:
CC1OC(C2(C)CCC(Br)C(C)(C)O2)CCC1(C)O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 335.28 | Num_heavy_atoms: | 19 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD13922
Formula: C11H22O3
Smiles:
CCC(O)C1(C)CCC(C(C)(C)O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.29 | Num_heavy_atoms: | 14 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
