Glycoside
GD005858
Name:
NoneFormula:
C26H21O4N6F3ClISmiles:
O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2.O=CNCc1cccc(C(F)(F)F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 688.83 | Num_heavy_atoms: | 40 |
| TPSA: | 134.42 | NumAromaticRings: | 4 |
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 |
AD04910
Formula: C9H8ONF3
Smiles:
O=CNCc1cccc(C(F)(F)F)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.16 | Num_heavy_atoms: | 14 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
