Glycoside
GD101816
Name:
NoneFormula:
C21H21O6N5SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cnc(-c2ncccn2)nc1Aglycone:
O=C(Nc1ccc(S)cc1)c1cnc(-c2ncccn2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.5 | Num_heavy_atoms: | 33 |
| TPSA: | 170.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD43111
Formula: C15H11ON5S
Smiles:
O=C(Nc1ccc(S)cc1)c1cnc(-c2ncccn2)nc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.35 | Num_heavy_atoms: | 22 |
| TPSA: | 80.66 | NumAromaticRings: | 3 |
