Glycoside
GD096359
Name:
NoneFormula:
C21H30O5N5SSmiles:
C[NH+]1CCN(c2ncc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)cn2)CC1Aglycone:
C[NH+]1CCN(c2ncc(Nc3ccc(S)cc3)cn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.57 | Num_heavy_atoms: | 32 |
| TPSA: | 135.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD40982
Formula: C15H20N5S
Smiles:
C[NH+]1CCN(c2ncc(Nc3ccc(S)cc3)cn2)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.43 | Num_heavy_atoms: | 21 |
| TPSA: | 45.49 | NumAromaticRings: | 2 |
