Glycoside
GD101588
Name:
NoneFormula:
C22H27O6N5SSmiles:
O=S(=O)(c1ccccc1Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCCCC1Aglycone:
O=S(=O)(c1ccccc1Nc1ncnc2c1C=C[N]2)N1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.55 | Num_heavy_atoms: | 34 |
| TPSA: | 150.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD43001
Formula: C17H18O2N5S
Smiles:
O=S(=O)(c1ccccc1Nc1ncnc2c1C=C[N]2)N1CCCCC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.43 | Num_heavy_atoms: | 25 |
| TPSA: | 89.29 | NumAromaticRings: | 2 |
