Glycoside
GD091778
Name:
NoneFormula:
C18H25O9N3Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(C3(C)COC3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC1(C2=C[N]N=N2)COC1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.41 | Num_heavy_atoms: | 30 |
| TPSA: | 148.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD26155
Formula: C6H8ON3
Smiles:
CC1(C2=C[N]N=N2)COC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.15 | Num_heavy_atoms: | 10 |
| TPSA: | 48.05 | NumAromaticRings: | 0 |
