Glycoside
GD080925
Name:
NoneFormula:
C16H23O9N3Smiles:
CC(=O)OC[C@H]1O[C@H](O)[C@H](n2cc(CCO)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.OCCC1=C[N]N=N1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.37 | Num_heavy_atoms: | 28 |
| TPSA: | 159.3 | 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 |
AD17086
Formula: C4H6ON3
Smiles:
OCCC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 112.11 | Num_heavy_atoms: | 8 |
| TPSA: | 59.05 | NumAromaticRings: | 0 |
