Glycoside
GD108184
Name:
NoneFormula:
C29H31O7N6ClSmiles:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C2=NN=N[N]2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.04 | Num_heavy_atoms: | 42 |
| TPSA: | 188.87 | NumAromaticRings: | 4 |
Unique Aglycone
AD44417
Formula: C23H22ON6Cl
Smiles:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C2=NN=N[N]2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.91 | Num_heavy_atoms: | 30 |
| TPSA: | 89.23 | NumAromaticRings: | 3 |
