Glycoside
GD019194
Name:
NoneFormula:
C19H26O11N3PSmiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OCc3cccc(OCC(O)CO)c3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OCc1cccc(OCC(O)CO)c1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 503.4 | Num_heavy_atoms: | 34 |
| TPSA: | 216.05 | 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 |
AD13434
Formula: C11H17O7P
Smiles:
COP(=O)(O)OCc1cccc(OCC(O)CO)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 292.22 | Num_heavy_atoms: | 19 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
