Glycoside
GD001113
Name:
NoneFormula:
C26H24O4N6ClISmiles:
O=C(NCCc1ccccc1)[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=CNCCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.86 | Num_heavy_atoms: | 37 |
| 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 |
AD01159
Formula: C9H11ON
Smiles:
O=CNCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
