Glycoside
GD101870
Name:
NoneFormula:
C22H28O6N4SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)C1CCN(c2ncccn2)CC1Aglycone:
O=C(Nc1ccc(S)cc1)C1CCN(c2ncccn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.56 | Num_heavy_atoms: | 33 |
| TPSA: | 148.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD43127
Formula: C16H18ON4S
Smiles:
O=C(Nc1ccc(S)cc1)C1CCN(c2ncccn2)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.41 | Num_heavy_atoms: | 22 |
| TPSA: | 58.12 | NumAromaticRings: | 2 |
