Glycoside
GD023974
Name:
NoneFormula:
C13H22O8N3PSmiles:
CCCCc1cn(C2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)nc1NAglycone:
CCCCc1c[nH]c(=O)nc1N.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 379.31 | Num_heavy_atoms: | 25 |
| TPSA: | 177.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD16066
Formula: C8H13ON3
Smiles:
CCCCc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 167.21 | Num_heavy_atoms: | 12 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
