Glycoside
GD026862
Name:
NoneFormula:
C13H25O11N4P2Smiles:
C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 475.31 | Num_heavy_atoms: | 30 |
| TPSA: | 212.89 | 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 |
AD17688
Formula: C5H16O7NP2
Smiles:
C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 264.13 | Num_heavy_atoms: | 15 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
