Glycoside
GD016738
Name:
NoneFormula:
C15H17O8N3PSmiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])Oc3ccccc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)([O-])Oc1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.29 | Num_heavy_atoms: | 27 |
| TPSA: | 169.19 | 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 |
AD12013
Formula: C7H8O4P
Smiles:
COP(=O)([O-])Oc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 187.11 | Num_heavy_atoms: | 12 |
| TPSA: | 58.59 | NumAromaticRings: | 1 |
