Glycoside
GD004268
Name:
NoneFormula:
C15H25O13N3P2Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC([C@@H]3C[C@H](O)[C@H](O)C3)P(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OC(C1CC(O)C(O)C1)P(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 517.32 | Num_heavy_atoms: | 33 |
| TPSA: | 264.35 | 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 |
AD03750
Formula: C7H16O9P2
Smiles:
COP(=O)(O)OC(C1CC(O)C(O)C1)P(=O)(O)O| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 306.14 | Num_heavy_atoms: | 18 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
