Glycoside
GD095877
Name:
NoneFormula:
C9H20O13N3P3SSmiles:
Nc1ccn([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)n1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.Nc1cc[nH]c(=S)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 503.26 | Num_heavy_atoms: | 29 |
| TPSA: | 259.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD24645
Formula: C4H5N3S
Smiles:
Nc1cc[nH]c(=S)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.17 | Num_heavy_atoms: | 8 |
| TPSA: | 54.7 | NumAromaticRings: | 1 |
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
