Glycoside
GD104522
Name:
NoneFormula:
C23H29O6N2SSmiles:
C[C@@H](CN1c2ccccc2Sc2ccccc21)[N+](C)(C)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC(CN1c2ccccc2Sc2ccccc21)[NH+](C)CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.56 | Num_heavy_atoms: | 32 |
| TPSA: | 110.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD43991
Formula: C17H21N2S
Smiles:
CC(CN1c2ccccc2Sc2ccccc21)[NH+](C)C| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.44 | Num_heavy_atoms: | 20 |
| TPSA: | 7.68 | NumAromaticRings: | 2 |
