Glycoside
GD023223
Name:
NoneFormula:
C23H33O9N3SSmiles:
CO[C@@H]1[C@H](OCCN(CC(N)=O)S(=O)(=O)c2cccc3c(N(C)C)cccc23)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(N)=O)cccc12Sugarmoiety:
COC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 527.6 | Num_heavy_atoms: | 36 |
| TPSA: | 172.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD10696
Formula: C16H21O4N3S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(N)=O)cccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 351.43 | Num_heavy_atoms: | 24 |
| TPSA: | 103.94 | NumAromaticRings: | 2 |
