Glycoside
GD089505
Name:
NoneFormula:
C19H31O8N4Smiles:
CC[NH+](CC)Cc1cn([C@H]2[C@@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1Aglycone:
CC[NH+](CC)CC1=C[N]N=N1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 443.48 | Num_heavy_atoms: | 31 |
| TPSA: | 143.51 | 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 |
AD25561
Formula: C7H14N4
Smiles:
CC[NH+](CC)CC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.22 | Num_heavy_atoms: | 11 |
| TPSA: | 43.26 | NumAromaticRings: | 0 |
