Glycoside
GD123851
Name:
NoneFormula:
C23H30O6N4SSmiles:
Cc1ccc([S+]([O])(=O)NCC2OC(CC(=O)N3CCN(c4ccccn4)CC3)C(O)C2O)cc1Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CN[S+](=O)(O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.58 | Num_heavy_atoms: | 34 |
| TPSA: | 135.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
AD50003
Formula: C8H12O2NS
Smiles:
CN[S+](=O)(O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.26 | Num_heavy_atoms: | 12 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
