Glycoside
GD096388
Name:
NoneFormula:
C20H29O8N2SSmiles:
COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)C1Aglycone:
COC(=O)C1CC[NH+](CC(=O)Nc2ccc(S)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.53 | Num_heavy_atoms: | 31 |
| TPSA: | 149.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD40994
Formula: C14H19O3N2S
Smiles:
COC(=O)C1CC[NH+](CC(=O)Nc2ccc(S)cc2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 295.38 | Num_heavy_atoms: | 20 |
| TPSA: | 59.84 | NumAromaticRings: | 1 |
