Glycoside
GD079371
Name:
NoneFormula:
C12H20O10N2S2Smiles:
O=S(=O)(Cc1cccnc1)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NS(=O)(=O)Cc1cccnc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.43 | Num_heavy_atoms: | 26 |
| TPSA: | 198.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD27266
Formula: C6H8O2N2S
Smiles:
NS(=O)(=O)Cc1cccnc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
