Glycoside
GD100289
Name:
NoneFormula:
C24H31O6N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)C1CCN(Cc2ccccn2)CC1Aglycone:
O=C(Nc1ccc(S)cc1)C1CCN(Cc2ccccn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.59 | Num_heavy_atoms: | 34 |
| TPSA: | 135.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD42378
Formula: C18H21ON3S
Smiles:
O=C(Nc1ccc(S)cc1)C1CCN(Cc2ccccn2)CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 327.45 | Num_heavy_atoms: | 23 |
| TPSA: | 45.23 | NumAromaticRings: | 2 |
