Glycoside
GD093522
Name:
NoneFormula:
C10H22O13N3P3Smiles:
Nc1ccn([C@H]2O[C@@H](CO[PH](O)(O)O[PH](O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
CO[PH](O)(O)O[PH](O)(O)CP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | -3.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.22 | Num_heavy_atoms: | 29 |
| TPSA: | 267.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD40422
Formula: C2H13O9P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)CP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.04 | Num_heavy_atoms: | 14 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
