Glycoside
GD079594
Name:
NoneFormula:
C18H27O7N2SSmiles:
C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)C1Aglycone:
C[NH+]1CCOC(C(=O)Nc2ccc(S)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.49 | Num_heavy_atoms: | 28 |
| TPSA: | 132.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD36375
Formula: C12H17O2N2S
Smiles:
C[NH+]1CCOC(C(=O)Nc2ccc(S)cc2)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.35 | Num_heavy_atoms: | 17 |
| TPSA: | 42.77 | NumAromaticRings: | 1 |
