Glycoside
GD033200
Name:
NoneFormula:
C14H23O9NSSmiles:
CC1=N[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](CO)O[C@@H]2S1Aglycone:
CC1=NC2C(OC(CO)C(O)C2O)S1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 381.4 | Num_heavy_atoms: | 25 |
| TPSA: | 161.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD12112
Formula: C8H13O4NS
Smiles:
CC1=NC2C(OC(CO)C(O)C2O)S1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 219.26 | Num_heavy_atoms: | 14 |
| TPSA: | 82.28 | NumAromaticRings: | 0 |
