Glycoside
GD050598
Name:
NoneFormula:
C14H23O5N3Smiles:
C#CCNC(=O)C[C@@H]1O[C@H](CNC(=O)NC(C)C)[C@@H](O)[C@H]1OAglycone:
C#CCNC(C)=O.CNC(=O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 313.35 | Num_heavy_atoms: | 22 |
| TPSA: | 119.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD21840
Formula: C5H12ON2
Smiles:
CNC(=O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
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 |
