Glycoside
GD003196
Name:
NoneFormula:
C23H25O4N7Cl2Smiles:
OC[C@@H]1OC(n2ncc3c(NN=Cc4ccc(N(CCCl)CCCl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
ClCCN(CCCl)c1ccc(C=NNc2ncnc3c2C=N[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 510.38 | Num_heavy_atoms: | 34 |
| TPSA: | 141.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD02924
Formula: C18H16N7Cl2
Smiles:
ClCCN(CCCl)c1ccc(C=NNc2ncnc3c2C=N[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 377.26 | Num_heavy_atoms: | 25 |
| TPSA: | 79.87 | NumAromaticRings: | 2 |
