Glycoside
GD017922
Name:
NoneFormula:
C15H24O6N4Smiles:
CC(C)C(N)C(=O)O[C@@H]1[C@H](CO)O[C@H](n2ccc(N)nc2=O)[14C@]1(C)OAglycone:
CC(C)C(N)C(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.37 | Num_heavy_atoms: | 25 |
| TPSA: | 162.92 | 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 |
AD02767
Formula: C5H11O2N
Smiles:
CC(C)C(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
