Glycoside
GD020226
Name:
NoneFormula:
C21H18O9N7PS2Smiles:
Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OC(=O)c2csc(-c3nc4ccc(O)cc4s3)n2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OC(=O)c1csc(-c2nc3ccc(O)cc3s2)n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 607.52 | Num_heavy_atoms: | 40 |
| TPSA: | 238.15 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD14000
Formula: C12H9O6N2PS2
Smiles:
COP(=O)(O)OC(=O)c1csc(-c2nc3ccc(O)cc3s2)n1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.32 | Num_heavy_atoms: | 23 |
| TPSA: | 118.84 | NumAromaticRings: | 3 |
