Glycoside
GD151089
Name:
N-[(3,4-dihydroxy-5-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}oxolan-2-yl)methyl]acetamideFormula:
C18H26O5N4Smiles:
CC(O)=NCC1OC(CC(=O)N2CCN(c3ccccn3)CC2)C(O)C1OAglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.43 | Num_heavy_atoms: | 27 |
| TPSA: | 118.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
