Glycoside
GD040444
Name:
(e,2r,3r,4s,5r)-n-[[(3s)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamideFormula:
C22H38O6N2Smiles:
CO[C@@H](C(=O)NC[C@@H]1CCCN(C(=O)C2CC2)C1)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)CAglycone:
C=CC(C)(C)C.NCC1CCCN(C(=O)C2CC2)C1Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 426.55 | Num_heavy_atoms: | 30 |
| TPSA: | 119.33 | 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 |
AD02497
Formula: C10H18ON2
Smiles:
NCC1CCCN(C(=O)C2CC2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.27 | Num_heavy_atoms: | 13 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
