Glycoside
GD076870
Name:
NoneFormula:
C19H29O6N3Smiles:
COCCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc(N(C)C)cc2)[C@@H](O)[C@H]1OAglycone:
CNC(=O)c1ccc(N(C)C)cc1.COCCNC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 395.46 | Num_heavy_atoms: | 28 |
| TPSA: | 120.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD24971
Formula: C5H11O2N
Smiles:
COCCNC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 38.33 | 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 |
