Glycoside
GD106617
Name:
NoneFormula:
C24H32O11N5Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC(=N)/[NH+]=C(\N)Nc1ccccc1Aglycone:
N=C(N)[NH+]=C(N)Nc1ccccc1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 566.54 | Num_heavy_atoms: | 40 |
| TPSA: | 236.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD44190
Formula: C8H12N5
Smiles:
N=C(N)[NH+]=C(N)Nc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.22 | Num_heavy_atoms: | 13 |
| TPSA: | 101.89 | NumAromaticRings: | 1 |
