Glycoside
GD014846
Name:
NoneFormula:
C27H25O6N7F3ISmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(I)cc5C(F)(F)F)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc(I)cc1C(F)(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 727.44 | Num_heavy_atoms: | 44 |
| TPSA: | 172.75 | NumAromaticRings: | 4 |
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 |
AD10877
Formula: C20H13O2N6F3I
Smiles:
O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc(I)cc1C(F)(F)F| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 553.26 | Num_heavy_atoms: | 32 |
| TPSA: | 102.6 | NumAromaticRings: | 3 |
