Glycoside
GD040443
Name:
(2r,3r,4s,5r,6e)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-n-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamideFormula:
C23H37O6NSmiles:
CO[C@H](C(=O)NCCOc1c(C)cc(C)cc1C)[C@@H](O)[C@@H](O)[C@@H](O)C=CC(C)(C)CAglycone:
C=CC(C)(C)C.Cc1cc(C)c(OCCN)c(C)c1Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 423.55 | Num_heavy_atoms: | 30 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD00410
Formula: C6H12
Smiles:
C=CC(C)(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.16 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD17080
Formula: C11H17ON
Smiles:
Cc1cc(C)c(OCCN)c(C)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.26 | Num_heavy_atoms: | 13 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
