Glycoside
GD023212
Name:
LYNGBYALOSIDE BFormula:
C30H49O10BrSmiles:
CO[C@@H]1[C@H](C)O[C@H](O[C@@H]2C[C@]3(O)CC(=O)O[C@](C)(CCC=CC=CBr)C[C@H](O)[C@H](C)CC[C@H](O3)[C@H]2C)[C@H](O)[C@H]1OCAglycone:
CC1CCC2OC(O)(CC(=O)OC(C)(CCC=CC=CBr)CC1O)CC(O)C2CSugarmoiety:
COC1C(C)OC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 649.62 | Num_heavy_atoms: | 41 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD15635
Formula: C22H35O6Br
Smiles:
CC1CCC2OC(O)(CC(=O)OC(C)(CCC=CC=CBr)CC1O)CC(O)C2C| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 475.42 | Num_heavy_atoms: | 29 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
