Glycoside
GD137256
Name:
2-[3,4-dihydroxy-5-({[(pyridin-2-yl)methyl]amino}methyl)oxolan-2-yl]-N-(2-methoxyethyl)acetamideFormula:
C16H25O5N3Smiles:
COCCN=C(O)CC1OC(CNCc2ccccn2)C(O)C1OAglycone:
CNCc1ccccn1.COCCN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 339.39 | Num_heavy_atoms: | 24 |
| TPSA: | 116.43 | 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 |
AD46272
Formula: C5H11O2N
Smiles:
COCCN=C(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
