Glycoside
GD069875
Name:
NoneFormula:
C18H23O5N3Smiles:
C#CCNC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2ccc(C)cc2)[C@@H](O)[C@H]1OAglycone:
C#CCNC(C)=O.CNC(=O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 361.4 | Num_heavy_atoms: | 26 |
| TPSA: | 119.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD24844
Formula: C5H7ON
Smiles:
C#CCNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD33094
Formula: C9H12ON2
Smiles:
CNC(=O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
