Glycoside
GD078600
Name:
NoneFormula:
C18H19O5N3SSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2nnc(-c3cccs3)c3ccccc23)[C@@H](O)[C@@H]1OAglycone:
Nc1nnc(-c2cccs2)c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 389.43 | Num_heavy_atoms: | 27 |
| TPSA: | 127.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD36118
Formula: C12H9N3S
Smiles:
Nc1nnc(-c2cccs2)c2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 227.29 | Num_heavy_atoms: | 16 |
| TPSA: | 51.8 | NumAromaticRings: | 3 |
