Glycoside
GD017884
Name:
NoneFormula:
C14H19O4N6ISmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC)nc(I)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCNc1nc(I)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.25 | Num_heavy_atoms: | 25 |
| TPSA: | 134.42 | 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 |
AD12713
Formula: C7H7N5I
Smiles:
CCNc1nc(I)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.07 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
