Glycoside
GD079803
Name:
NoneFormula:
C14H20O9N4SSmiles:
Cc1cccn2c(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)nnc12Aglycone:
COS(O)(O)O.Cc1cccn2c(C(N)=O)nnc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.4 | Num_heavy_atoms: | 28 |
| TPSA: | 199.13 | 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 |
AD27628
Formula: C8H8ON4
Smiles:
Cc1cccn2c(C(N)=O)nnc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.18 | Num_heavy_atoms: | 13 |
| TPSA: | 73.28 | NumAromaticRings: | 2 |
