Glycoside
GD012472
Name:
18E-Lyngbyaloside CFormula:
C30H49O10BrSmiles:
CO[C@H]1[C@H](OC)[C@H](C)O[C@H](O[C@@H]2C[C@@H]3CC[C@H](C)[C@H](O)C[C@](C)(CCC=CC=CBr)OC(=O)C[C@](O)(C2)O3)[C@@H]1OCAglycone:
CC1CCC2CC(O)CC(O)(CC(=O)OC(C)(CCC=CC=CBr)CC1O)O2Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 649.62 | Num_heavy_atoms: | 41 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD09399
Formula: C21H33O6Br
Smiles:
CC1CCC2CC(O)CC(O)(CC(=O)OC(C)(CCC=CC=CBr)CC1O)O2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 461.39 | Num_heavy_atoms: | 28 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
