Glycoside
GD025630
Name:
NoneFormula:
C20H27O9N4PSmiles:
CC(=O)OCCNP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)Oc1ccccc1Aglycone:
COP(=O)(NCCOC(C)=O)Oc1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 498.43 | Num_heavy_atoms: | 34 |
| TPSA: | 184.46 | 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 |
AD16973
Formula: C11H16O5NP
Smiles:
COP(=O)(NCCOC(C)=O)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 273.22 | Num_heavy_atoms: | 18 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
