Glycoside
GD011740
Name:
NoneFormula:
C20H24O9N4PClSmiles:
COC(=O)CNP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)Oc1ccc(Cl)cc1Aglycone:
COC(=O)CNP(=O)(OC)Oc1ccc(Cl)cc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.85 | 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 |
AD08915
Formula: C11H13O5NPCl
Smiles:
COC(=O)CNP(=O)(OC)Oc1ccc(Cl)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 293.64 | Num_heavy_atoms: | 18 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
