Glycoside
GD080802
Name:
NoneFormula:
C17H25O7N3SSmiles:
CC(C)C(=O)N1CCCc2sc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc21Aglycone:
CC(C)C(=O)N1CCCc2sc(C(N)=O)nc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 415.47 | Num_heavy_atoms: | 28 |
| TPSA: | 152.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD36475
Formula: C11H15O2N3S
Smiles:
CC(C)C(=O)N1CCCc2sc(C(N)=O)nc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.33 | Num_heavy_atoms: | 17 |
| TPSA: | 76.29 | NumAromaticRings: | 1 |
