Glycoside
GD008514
Name:
NoneFormula:
C35H35O12N3Br2Smiles:
O=[N+]([O-])c1ccc(C(c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3ccc(Br)cc23)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3ccc(Br)cc23)cc1Aglycone:
O=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 849.48 | Num_heavy_atoms: | 52 |
| TPSA: | 233.3 | NumAromaticRings: | 5 |
Unique Aglycone
AD06794
Formula: C23H15O2N3Br2
Smiles:
O=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.04 |
| AlogP: | 7.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 525.2 | Num_heavy_atoms: | 30 |
| TPSA: | 74.72 | NumAromaticRings: | 5 |
