Glycoside
GD011940
Name:
NoneFormula:
C18H23O9N4PSmiles:
COC(=O)[C@H](NP(=O)(O)OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)C(NP(=O)(O)OC)c1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.38 | Num_heavy_atoms: | 32 |
| TPSA: | 195.46 | 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 |
AD09046
Formula: C10H14O5NP
Smiles:
COC(=O)C(NP(=O)(O)OC)c1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 259.2 | Num_heavy_atoms: | 17 |
| TPSA: | 84.86 | NumAromaticRings: | 1 |
