Glycoside
GD040181
Name:
(e)-(2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoic acid ((3s,6r)-6-hydroxy-2-oxo-azepan-3-yl)-amideFormula:
C18H32O7N2Smiles:
CO[C@@H](C(=O)N[C@@H]1CC[C@@H](O)CNC1=O)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)CAglycone:
C=CC(C)(C)C.NC1CCC(O)CNC1=OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 148.35 | NumAromaticRings: | 0 |
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 |
AD00411
Formula: C6H12O2N2
Smiles:
NC1CCC(O)CNC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
