Glycoside
GD050569
Name:
NoneFormula:
C9H13O8N3SSmiles:
CS(=O)(=O)OC[C@@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](O)[C@H]1OAglycone:
COS(C)(=O)=O.O=c1cn[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -3.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.28 | Num_heavy_atoms: | 21 |
| TPSA: | 160.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD02567
Formula: C2H6O3S
Smiles:
COS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.13 | Num_heavy_atoms: | 6 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
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 |
