Glycoside
GD003059
Name:
NoneFormula:
C11H16O10N3PSmiles:
Nc1ccn(C2O[C@H](COP(=O)(O)OCC(=O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OCC(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 381.23 | Num_heavy_atoms: | 25 |
| TPSA: | 203.66 | 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 |
AD02821
Formula: C3H7O6P
Smiles:
COP(=O)(O)OCC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 170.06 | Num_heavy_atoms: | 10 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
