Glycoside
GD094970
Name:
NoneFormula:
C19H31O9N3SSmiles:
CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC3)C1=OAglycone:
CN1CCC2(CN(S(C)(=O)=O)CC23CCNCC3)C1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.54 | Num_heavy_atoms: | 32 |
| TPSA: | 175.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD40582
Formula: C13H23O3N3S
Smiles:
CN1CCC2(CN(S(C)(=O)=O)CC23CCNCC3)C1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 301.41 | Num_heavy_atoms: | 20 |
| TPSA: | 69.72 | NumAromaticRings: | 0 |
