Glycoside
GD078367
Name:
NoneFormula:
C17H21O5N3SSmiles:
Cc1ncc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)cn1Aglycone:
Cc1ncc(Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.44 | Num_heavy_atoms: | 26 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD35972
Formula: C11H11N3S
Smiles:
Cc1ncc(Nc2ccc(S)cc2)cn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 217.3 | Num_heavy_atoms: | 15 |
| TPSA: | 37.81 | NumAromaticRings: | 2 |
