Glycoside
GD118136
Name:
NoneFormula:
C32H27O10N5Smiles:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1Cc1cc3c(c([O-])c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1ccccc1C3=O)CN=2Aglycone:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1Cc1cc3c(c([O-])c1O)C(=O)c1ccccc1C3=O)CN=2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 641.59 | Num_heavy_atoms: | 47 |
| TPSA: | 244.71 | NumAromaticRings: | 4 |
Unique Aglycone
AD47204
Formula: C26H17O5N5
Smiles:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1Cc1cc3c(c([O-])c1O)C(=O)c1ccccc1C3=O)CN=2| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 479.45 | Num_heavy_atoms: | 36 |
| TPSA: | 165.56 | NumAromaticRings: | 4 |
