Glycoside
GD094587
Name:
NoneFormula:
C14H19O10N3S2Smiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc2nccnc2c1Aglycone:
COS(O)(O)O.NS(=O)(=O)c1ccc2nccnc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 453.45 | Num_heavy_atoms: | 29 |
| TPSA: | 211.79 | NumAromaticRings: | 2 |
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 |
AD31293
Formula: C8H7O2N3S
Smiles:
NS(=O)(=O)c1ccc2nccnc2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 209.23 | Num_heavy_atoms: | 14 |
| TPSA: | 85.94 | NumAromaticRings: | 2 |
