Glycoside
GD100281
Name:
NoneFormula:
C22H30O5N4SSmiles:
CN1CCN(c2ccc(Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)cn2)CC1Aglycone:
CN1CCN(c2ccc(Nc3ccc(S)cc3)cn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.57 | Num_heavy_atoms: | 32 |
| TPSA: | 121.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD42376
Formula: C16H20N4S
Smiles:
CN1CCN(c2ccc(Nc3ccc(S)cc3)cn2)CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.43 | Num_heavy_atoms: | 21 |
| TPSA: | 31.4 | NumAromaticRings: | 2 |
