Glycoside
GD016894
Name:
NoneFormula:
C26H43O19NSSmiles:
CC1=N[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](CO)O[C@@H]2S1Aglycone:
CC1=NC2C(OC(CO)C(O)C2O)S1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -7.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 705.69 | Num_heavy_atoms: | 47 |
| TPSA: | 319.73 | 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 |
