Glycoside
GD004474
Name:
NoneFormula:
C12H20O8N3PSmiles:
CCCc1cn(C2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)nc1NAglycone:
CCCc1c[nH]c(=O)nc1N.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.28 | Num_heavy_atoms: | 24 |
| 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 |
AD03902
Formula: C7H11ON3
Smiles:
CCCc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 153.18 | Num_heavy_atoms: | 11 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
