Glycoside
GD007809
Name:
NoneFormula:
C16H26O8N3PSmiles:
Nc1ccn(C2O[C@H](COP(=O)(O)OCC3CCCCC3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OCC1CCCCC1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.37 | Num_heavy_atoms: | 28 |
| TPSA: | 166.36 | 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 |
AD06322
Formula: C8H17O4P
Smiles:
COP(=O)(O)OCC1CCCCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.19 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
