Glycoside
GD000950
Name:
NoneFormula:
C9H14O7N3PSmiles:
Nc1ccn(C2O[C@H](CP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.2 | Num_heavy_atoms: | 20 |
| TPSA: | 168.13 | 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 |
AD00991
Formula: CH5O3P
Smiles:
CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
