Glycoside
GD020210
Name:
NoneFormula:
C14H28O7N4SSmiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CNC(=O)CS)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H]1OAglycone:
CNC(=O)CS.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -5.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.47 | Num_heavy_atoms: | 26 |
| TPSA: | 206.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD13989
Formula: C3H7ONS
Smiles:
CNC(=O)CS| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 105.16 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
