Glycoside
GD095392
Name:
NoneFormula:
C15H18O6N3ISmiles:
Cn1nc(I)c2cc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)ccc21Aglycone:
Cn1nc(I)c2cc(C(N)=O)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 463.23 | Num_heavy_atoms: | 25 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD40715
Formula: C9H8ON3I
Smiles:
Cn1nc(I)c2cc(C(N)=O)ccc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 301.09 | Num_heavy_atoms: | 14 |
| TPSA: | 60.91 | NumAromaticRings: | 2 |
