Glycoside
GD018531
Name:
NoneFormula:
C20H20O4N6ClISmiles:
CN(C)C(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CN(C)C=O.Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.76 | Num_heavy_atoms: | 31 |
| TPSA: | 125.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD00324
Formula: C13H8N5ClI
Smiles:
Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.59 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
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 |
