Glycoside
GD000298
Name:
NoneFormula:
C31H50O9N6Smiles:
CCCCCCCCCCCCCCCC(=O)N1[C@H](CCN=[N+]=[N-])O[C@@H]([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H]1C(=O)OCAglycone:
CCCCCCCCCCCCCCCC(=O)N1C(CCN=[N+]=[N-])OCC1C(=O)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 20 |
| MolWt: | 650.77 | Num_heavy_atoms: | 46 |
| TPSA: | 209.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00344
Formula: C23H42O4N4
Smiles:
CCCCCCCCCCCCCCCC(=O)N1C(CCN=[N+]=[N-])OCC1C(=O)OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 18 |
| MolWt: | 438.61 | Num_heavy_atoms: | 31 |
| TPSA: | 104.6 | NumAromaticRings: | 0 |
