Glycoside
GD018881
Name:
NoneFormula:
C12H19O9N4PSmiles:
C[C@H](NP(=O)(O)OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)C(=O)OAglycone:
COP(=O)(O)NC(C)C(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.28 | Num_heavy_atoms: | 26 |
| TPSA: | 206.46 | NumAromaticRings: | 1 |
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 |
AD13237
Formula: C4H10O5NP
Smiles:
COP(=O)(O)NC(C)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 183.1 | Num_heavy_atoms: | 11 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
