Glycoside
GD027554
Name:
NoneFormula:
C20H24O9N5PSmiles:
COC(=O)[C@H](NP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)C1C=Nc2ccccc21Aglycone:
COC(=O)C(NP(=O)(O)OC)C1C=Nc2ccccc21.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 509.41 | Num_heavy_atoms: | 35 |
| TPSA: | 207.82 | 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 |
AD18100
Formula: C12H15O5N2P
Smiles:
COC(=O)C(NP(=O)(O)OC)C1C=Nc2ccccc21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 298.24 | Num_heavy_atoms: | 20 |
| TPSA: | 97.22 | NumAromaticRings: | 1 |
