Glycoside
GD017568
Name:
NoneFormula:
C21H26O4N7ISmiles:
CN(C)C(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(N(C)C)nc32)[C@H](O)[C@H]1OAglycone:
CN(C)C=O.CN(C)c1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 567.39 | Num_heavy_atoms: | 33 |
| TPSA: | 128.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD02639
Formula: C3H7ON
Smiles:
CN(C)C=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD12522
Formula: C14H14N6I
Smiles:
CN(C)c1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.21 | Num_heavy_atoms: | 21 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
