Glycoside
GD088813
Name:
NoneFormula:
C17H25O10N4Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NOCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]CCONc1c[nH]c(=O)[nH]c1=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.41 | Num_heavy_atoms: | 31 |
| TPSA: | 191.89 | 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 |
AD38858
Formula: C6H11O3N4
Smiles:
[NH3+]CCONc1c[nH]c(=O)[nH]c1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 187.18 | Num_heavy_atoms: | 13 |
| TPSA: | 114.62 | NumAromaticRings: | 1 |
