Glycoside
GD095550
Name:
NoneFormula:
C20H31O10N2SSmiles:
COC(=O)[C@H](CCCC[NH3+])N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)S(=O)(=O)c1ccc(C)cc1Aglycone:
COC(=O)C(CCCC[NH3+])NS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 491.54 | Num_heavy_atoms: | 33 |
| TPSA: | 206.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD40765
Formula: C14H23O4N2S
Smiles:
COC(=O)C(CCCC[NH3+])NS(=O)(=O)c1ccc(C)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 315.42 | Num_heavy_atoms: | 21 |
| TPSA: | 100.11 | NumAromaticRings: | 1 |
