Glycoside
GD032000
Name:
NoneFormula:
C20H25O4N8ISmiles:
CNCC(=O)NC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CNCC(=O)NC.Nc1ccc(CNc2ncnc3c2N=C[N]3)cc1ISugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.38 | Num_heavy_atoms: | 33 |
| TPSA: | 172.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD02740
Formula: C12H10N6I
Smiles:
Nc1ccc(CNc2ncnc3c2N=C[N]3)cc1I| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.16 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
AD20561
Formula: C4H10ON2
Smiles:
CNCC(=O)NC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.14 | Num_heavy_atoms: | 7 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
