Glycoside
GD076765
Name:
NoneFormula:
C19H29O5N3Smiles:
CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc(N(C)C)cc2)[C@@H](O)[C@H]1OAglycone:
CC(=O)NC(C)C.CNC(=O)c1ccc(N(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 379.46 | Num_heavy_atoms: | 27 |
| TPSA: | 111.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD21589
Formula: C5H11ON
Smiles:
CC(=O)NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD35315
Formula: C10H14ON2
Smiles:
CNC(=O)c1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
