Glycoside
GD006942
Name:
NoneFormula:
C23H33O10N7Smiles:
O=C(NCc1cn(C[C@@H]2O[C@H](OC[C@@H]3O[C@H](Cn4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1)[C@@H]1CCCN1Aglycone:
Cn1cc(CNC(=O)C2CCCN2)nn1.Cn1ccc(=O)[nH]c1=OSugarmoiety:
OC1OC(COC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -4.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 567.56 | Num_heavy_atoms: | 40 |
| TPSA: | 235.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00607
Formula: C5H6O2N2
Smiles:
Cn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD03845
Formula: C9H15ON5
Smiles:
Cn1cc(CNC(=O)C2CCCN2)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 209.25 | Num_heavy_atoms: | 15 |
| TPSA: | 71.84 | NumAromaticRings: | 1 |
