Glycoside
GD039625
Name:
(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl 2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranosideFormula:
C15H28O11N2SSmiles:
N[C@@H](CS)C(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1OAglycone:
NC(=O)C(N)CS.OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -6.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.46 | Num_heavy_atoms: | 29 |
| TPSA: | 235.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00421
Formula: C6H12O6
Smiles:
OC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.16 | Num_heavy_atoms: | 12 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
AD24290
Formula: C3H8ON2S
Smiles:
NC(=O)C(N)CS| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 120.18 | Num_heavy_atoms: | 7 |
| TPSA: | 69.11 | NumAromaticRings: | 0 |
