Glycoside
GD005697
Name:
NoneFormula:
C18H24O12N4P2Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC(CNC(=O)c3ccccc3)P(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OC(CNC(=O)c1ccccc1)P(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.35 | Num_heavy_atoms: | 36 |
| TPSA: | 252.99 | NumAromaticRings: | 2 |
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 |
AD04800
Formula: C10H15O8NP2
Smiles:
COP(=O)(O)OC(CNC(=O)c1ccccc1)P(=O)(O)O| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 339.18 | Num_heavy_atoms: | 21 |
| TPSA: | 142.39 | NumAromaticRings: | 1 |
