Glycoside
GD131867
Name:
1-[(3,4-dihydroxy-5-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}oxolan-2-yl)methyl]-3-(propan-2-yl)ureaFormula:
C19H30O5N6Smiles:
CC(C)NC(O)=NCC1OC(CC(=O)N2CCN(c3ncccn3)CC2)C(O)C1OAglycone:
CC(=O)N1CCN(c2ncccn2)CC1.CN=C(O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.49 | Num_heavy_atoms: | 30 |
| TPSA: | 143.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD38293
Formula: C10H14ON4
Smiles:
CC(=O)N1CCN(c2ncccn2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.25 | Num_heavy_atoms: | 15 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
AD46637
Formula: C5H12ON2
Smiles:
CN=C(O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
