Glycoside
GD078065
Name:
NoneFormula:
C18H25O5N3SSmiles:
CCCn1cc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)cn1Aglycone:
CCCn1cc(Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.48 | Num_heavy_atoms: | 27 |
| TPSA: | 120.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD35787
Formula: C12H15N3S
Smiles:
CCCn1cc(Nc2ccc(S)cc2)cn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.34 | Num_heavy_atoms: | 16 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
