Glycoside
GD065089
Name:
NoneFormula:
C13H23O7N3SSmiles:
Cc1ncc(S(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)n1CAglycone:
Cc1ncc(S(=O)(=O)NCCO)n1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.41 | Num_heavy_atoms: | 24 |
| TPSA: | 143.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD31300
Formula: C7H13O3N3S
Smiles:
Cc1ncc(S(=O)(=O)NCCO)n1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 219.27 | Num_heavy_atoms: | 14 |
| TPSA: | 84.22 | NumAromaticRings: | 1 |
