Glycoside
GD000088
Name:
NoneFormula:
C19H25O9N4PSmiles:
COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1OAglycone:
COC(=O)C(Cc1ccccc1)NP(=O)(O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.4 | Num_heavy_atoms: | 33 |
| TPSA: | 195.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD00114
Formula: C11H16O5NP
Smiles:
COC(=O)C(Cc1ccccc1)NP(=O)(O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 273.23 | Num_heavy_atoms: | 18 |
| TPSA: | 84.86 | NumAromaticRings: | 1 |
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 |
