Glycoside
GD051825
Name:
NoneFormula:
C14H23O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](n2cc(C3CCCCC3)nn2)[C@@H](O)[C@@H]1OAglycone:
C1=C(C2CCCCC2)N=N[N]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.35 | Num_heavy_atoms: | 22 |
| TPSA: | 120.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD27022
Formula: C8H12N3
Smiles:
C1=C(C2CCCCC2)N=N[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.21 | Num_heavy_atoms: | 11 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
