Glycoside
GD098838
Name:
NoneFormula:
C20H21O6N5SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1cnn(-c2ncccn2)c1Aglycone:
O=C(Nc1ccc(S)cc1)c1cnn(-c2ncccn2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.48 | Num_heavy_atoms: | 32 |
| TPSA: | 162.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD42049
Formula: C14H11ON5S
Smiles:
O=C(Nc1ccc(S)cc1)c1cnn(-c2ncccn2)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 297.34 | Num_heavy_atoms: | 21 |
| TPSA: | 72.7 | NumAromaticRings: | 3 |
