Glycoside
GD013476
Name:
NoneFormula:
C27H31O5N8ClSmiles:
COc1ccc(Cl)c(CNc2nc(-n3cc(CC4CCCC4)nn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
COc1ccc(Cl)c(CNc2nc(-n3cc(CC4CCCC4)nn3)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 571.04 | Num_heavy_atoms: | 40 |
| TPSA: | 165.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD10050
Formula: C22H22ON8Cl
Smiles:
COc1ccc(Cl)c(CNc2nc(-n3cc(CC4CCCC4)nn3)nc3c2N=C[N]3)c1| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.92 | Num_heavy_atoms: | 31 |
| TPSA: | 104.21 | NumAromaticRings: | 3 |
