Glycoside
GD131469
Name:
Locustoside AFormula:
C16H23O6N5Smiles:
CC(C)=CCn1c(O)nc(=N)c2c1ncn2C1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCn1c(O)nc(=N)c2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 381.39 | Num_heavy_atoms: | 27 |
| TPSA: | 169.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD53262
Formula: C10H12ON5
Smiles:
CC(C)=CCn1c(O)nc(=N)c2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.24 | Num_heavy_atoms: | 16 |
| TPSA: | 88.36 | NumAromaticRings: | 1 |
