Glycoside
GD119422
Name:
NoneFormula:
C19H25O5N3Smiles:
C#CCN=C(O)CC1OC(CNC(=O)c2ccc(N(C)C)cc2)C(O)C1OAglycone:
C#CCN=C(C)O.CNC(=O)c1ccc(N(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 375.43 | Num_heavy_atoms: | 27 |
| TPSA: | 114.62 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
