Glycoside
GD075957
Name:
NoneFormula:
C15H17O8N3SSmiles:
Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](n3ncc(=O)[nH]c3=O)O[C@@H](CO)[C@H]2O)cc1Aglycone:
Cc1ccc(S(=O)(=O)O)cc1.O=c1cn[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.38 | Num_heavy_atoms: | 27 |
| TPSA: | 160.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD00419
Formula: C7H8O3S
Smiles:
Cc1ccc(S(=O)(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
AD07645
Formula: C3H3O2N3
Smiles:
O=c1cn[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.08 | Num_heavy_atoms: | 8 |
| TPSA: | 78.61 | NumAromaticRings: | 1 |
