Glycoside
GD086763
Name:
NoneFormula:
C15H26O9N4SSmiles:
CN1CCCn2nc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2C1Aglycone:
CN1CCCn2nc(C(N)=O)cc2C1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.46 | Num_heavy_atoms: | 29 |
| TPSA: | 190.0 | 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 |
AD30730
Formula: C9H14ON4
Smiles:
CN1CCCn2nc(C(N)=O)cc2C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.24 | Num_heavy_atoms: | 14 |
| TPSA: | 64.15 | NumAromaticRings: | 1 |
