Glycoside
GD062561
Name:
2-[3,4-dihydroxy-5-({[(pyridin-2-yl)methyl]amino}methyl)oxolan-2-yl]-1-(morpholin-4-yl)ethan-1-oneFormula:
C17H25O5N3Smiles:
O=C(C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O)N1CCOCC1Aglycone:
CC(=O)N1CCOCC1.CNCc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.4 | Num_heavy_atoms: | 25 |
| TPSA: | 104.15 | 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 |
AD24899
Formula: C6H11O2N
Smiles:
CC(=O)N1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.16 | Num_heavy_atoms: | 9 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
