Glycoside
GD098068
Name:
NoneFormula:
C21H28O6N4SSmiles:
CN1CCCn2nc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)cc2C1Aglycone:
CN1CCCn2nc(C(=O)Nc3ccc(S)cc3)cc2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.54 | Num_heavy_atoms: | 32 |
| TPSA: | 140.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD41723
Formula: C15H18ON4S
Smiles:
CN1CCCn2nc(C(=O)Nc3ccc(S)cc3)cc2C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.4 | Num_heavy_atoms: | 21 |
| TPSA: | 50.16 | NumAromaticRings: | 2 |
