Glycoside
GD126467
Name:
2-[3,4-dihydroxy-5-({[(pyridin-2-yl)methyl]amino}methyl)oxolan-2-yl]-N-(prop-2-yn-1-yl)acetamideFormula:
C16H21O4N3Smiles:
C#CCN=C(O)CC1OC(CNCc2ccccn2)C(O)C1OAglycone:
C#CCN=C(C)O.CNCc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 319.36 | Num_heavy_atoms: | 23 |
| TPSA: | 107.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD20141
Formula: C7H10N2
Smiles:
CNCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | 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 |
