Glycoside
GD009104
Name:
NoneFormula:
C13H19O11N4PSmiles:
Nc1ccn(C2O[C@H](COP(=O)(O)N[C@H](CC(=O)O)C(=O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)NC(CC(=O)O)C(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.29 | Num_heavy_atoms: | 29 |
| TPSA: | 243.76 | 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 |
AD07178
Formula: C5H10O7NP
Smiles:
COP(=O)(O)NC(CC(=O)O)C(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 227.11 | Num_heavy_atoms: | 14 |
| TPSA: | 133.16 | NumAromaticRings: | 0 |
