Glycoside
GD014052
Name:
LYNGBYALOSIDEFormula:
C31H49O10BrSmiles:
CO[C@H]1[C@H](OC)[C@H](C)O[C@H](O[C@@H]2C[C@@H]3O[C@](O)(C2)[C@H](C)C(=O)O[C@H](C=CC=CBr)C[C@H](C)C=CC[C@H](O)[C@H]3C)[C@@H]1OCAglycone:
CC1C=CCC(O)C(C)C2CC(O)CC(O)(O2)C(C)C(=O)OC(C=CC=CBr)C1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 661.63 | Num_heavy_atoms: | 42 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD10403
Formula: C22H33O6Br
Smiles:
CC1C=CCC(O)C(C)C2CC(O)CC(O)(O2)C(C)C(=O)OC(C=CC=CBr)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 473.4 | Num_heavy_atoms: | 29 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
