Glycoside
GD101685
Name:
NoneFormula:
C20H21O5N6ClSSmiles:
CN(C)C(=O)c1cc(Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1ClAglycone:
CN(C)C(=O)c1cc(Nc2[nH]c(=S)nc3c2N=C[N]3)ccc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.93 | Num_heavy_atoms: | 32 |
| TPSA: | 148.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD43055
Formula: C15H12ON6ClS
Smiles:
CN(C)C(=O)c1cc(Nc2[nH]c(=S)nc3c2N=C[N]3)ccc1Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.81 | Num_heavy_atoms: | 23 |
| TPSA: | 87.48 | NumAromaticRings: | 2 |
