Glycoside
GD034798
Name:
NoneFormula:
C25H31O5N6ClSmiles:
COC(=O)CCN(C[C@@H]1O[C@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@H]1O)C(C)CAglycone:
COC(=O)CCN(C)C(C)C.Clc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 519.0 | Num_heavy_atoms: | 36 |
| TPSA: | 134.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD02987
Formula: C13H9N5Cl
Smiles:
Clc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD22079
Formula: C8H17O2N
Smiles:
COC(=O)CCN(C)C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 159.23 | Num_heavy_atoms: | 11 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
