Glycoside
GD001845
Name:
NoneFormula:
C18H17O9N2PSmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@H](O)[C@H]2O)cc1C#Cc1ccccc1Aglycone:
O=P([O-])([O-])CCO.O=c1[nH]cc(C#Cc2ccccc2)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.31 | Num_heavy_atoms: | 30 |
| TPSA: | 187.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD01805
Formula: C2H5O4P
Smiles:
O=P([O-])([O-])CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 124.03 | Num_heavy_atoms: | 7 |
| TPSA: | 83.42 | NumAromaticRings: | 0 |
AD01806
Formula: C12H8O2N2
Smiles:
O=c1[nH]cc(C#Cc2ccccc2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.21 | Num_heavy_atoms: | 16 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
