Glycoside
GD019246
Name:
NoneFormula:
C56H58O12N6Smiles:
Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c3ccc2[nH]3)cc1Aglycone:
Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.29 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 1007.11 | Num_heavy_atoms: | 74 |
| TPSA: | 313.96 | NumAromaticRings: | 8 |
Unique Aglycone
AD13458
Formula: C44H38O2N6
Smiles:
Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1| HBA: | 8 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.09 |
| AlogP: | 8.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 682.83 | Num_heavy_atoms: | 52 |
| TPSA: | 155.66 | NumAromaticRings: | 8 |
