Glycoside
GD092037
Name:
NoneFormula:
C19H31O7N2SSmiles:
COc1ccc(CSC[C@H]([NH3+])C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
COc1ccc(CSCC([NH3+])C(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 431.53 | Num_heavy_atoms: | 29 |
| TPSA: | 145.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD40173
Formula: C13H21O3N2S
Smiles:
COc1ccc(CSCC([NH3+])C(=O)NCCO)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 285.39 | Num_heavy_atoms: | 19 |
| TPSA: | 86.2 | NumAromaticRings: | 1 |
