Glycoside
GD103776
Name:
NoneFormula:
C24H33O7N2SSmiles:
Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)Cc3ccccc32)cc1Aglycone:
Cc1ccc(S(=O)(=O)N2CCCC([NH3+])Cc3ccccc32)cc1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 493.6 | Num_heavy_atoms: | 34 |
| TPSA: | 151.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD43876
Formula: C18H23O2N2S
Smiles:
Cc1ccc(S(=O)(=O)N2CCCC([NH3+])Cc3ccccc32)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.46 | Num_heavy_atoms: | 23 |
| TPSA: | 65.02 | NumAromaticRings: | 2 |
