Glycoside
GD102607
Name:
NoneFormula:
C21H30O8N2SSmiles:
CCOC(=O)N1CCC(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CC1Aglycone:
CCOC(=O)N1CCC(C(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.54 | Num_heavy_atoms: | 32 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD43437
Formula: C15H20O3N2S
Smiles:
CCOC(=O)N1CCC(C(=O)Nc2ccc(S)cc2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.4 | Num_heavy_atoms: | 21 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
