Glycoside
GD082416
Name:
NoneFormula:
C17H27O8N4Smiles:
CC(=O)OC[C@H]1O[C@H](O)[C@H](n2cc(CCC[NH3+])nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]CCCC1=C[N]N=N1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 415.42 | Num_heavy_atoms: | 29 |
| TPSA: | 166.71 | 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 |
AD37039
Formula: C5H10N4
Smiles:
[NH3+]CCCC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 126.16 | Num_heavy_atoms: | 9 |
| TPSA: | 66.46 | NumAromaticRings: | 0 |
