Glycoside
GD101269
Name:
NoneFormula:
C21H25O6N5SSmiles:
O=S(=O)(c1cccc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1)N1CCCC1Aglycone:
O=S(=O)(c1cccc(Nc2ncnc3c2C=C[N]3)c1)N1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 475.53 | Num_heavy_atoms: | 33 |
| TPSA: | 150.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD42839
Formula: C16H16O2N5S
Smiles:
O=S(=O)(c1cccc(Nc2ncnc3c2C=C[N]3)c1)N1CCCC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.4 | Num_heavy_atoms: | 24 |
| TPSA: | 89.29 | NumAromaticRings: | 2 |
