Glycoside
GD029242
Name:
NoneFormula:
C26H41O9N7Smiles:
NC[C@@H]1O[C@H](O[C@H](c2cn(CCCCCN3CCCCC3)nn2)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=c1cc[nH]c(=O)[nH]1.OCc1cn(CCCCCN2CCCCC2)nn1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 595.65 | Num_heavy_atoms: | 42 |
| TPSA: | 223.44 | NumAromaticRings: | 2 |
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 |
AD19046
Formula: C13H24ON4
Smiles:
OCc1cn(CCCCCN2CCCCC2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 252.36 | Num_heavy_atoms: | 18 |
| TPSA: | 54.18 | NumAromaticRings: | 1 |
