Glycoside
GD083304
Name:
NoneFormula:
C18H26O4N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(/N=C4\CCC[N@H+](C)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.C[NH+]1CCCC(=Nc2ncnc3c2N=C[N]3)C1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.45 | Num_heavy_atoms: | 29 |
| TPSA: | 139.19 | NumAromaticRings: | 2 |
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 |
AD35541
Formula: C11H14N6
Smiles:
C[NH+]1CCCC(=Nc2ncnc3c2N=C[N]3)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.28 | Num_heavy_atoms: | 17 |
| TPSA: | 69.04 | NumAromaticRings: | 1 |
