Glycoside
GD012504
Name:
NoneFormula:
C28H26O4N7FClISmiles:
O=C([C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@H]1O)N1CCN(c2ccc(F)cc2)CC1Aglycone:
Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2.O=CN1CCN(c2ccc(F)cc2)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 693.9 | Num_heavy_atoms: | 41 |
| TPSA: | 128.87 | 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 |
AD09418
Formula: C11H13ON2F
Smiles:
O=CN1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.24 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
