Glycoside
GD101229
Name:
NoneFormula:
C23H29O5N7Smiles:
CCCCNC(=O)c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1Aglycone:
CCCCNC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 483.53 | Num_heavy_atoms: | 35 |
| TPSA: | 163.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD42810
Formula: C16H17ON6
Smiles:
CCCCNC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 309.35 | Num_heavy_atoms: | 23 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
