Glycoside
GD148739
Name:
NoneFormula:
C35H33O11N5Smiles:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1C(CCCO)c1cc3c(c([O-])c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1ccccc1C3=O)CN=2Aglycone:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1C(CCCO)c1cc3c(c([O-])c1O)C(=O)c1ccccc1C3=O)CN=2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 699.67 | Num_heavy_atoms: | 51 |
| TPSA: | 264.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD59511
Formula: C29H23O6N5
Smiles:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1C(CCCO)c1cc3c(c([O-])c1O)C(=O)c1ccccc1C3=O)CN=2| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 537.53 | Num_heavy_atoms: | 40 |
| TPSA: | 185.79 | NumAromaticRings: | 4 |
