Glycoside
GD028651
Name:
NoneFormula:
C65H72O19N6Smiles:
CC(N)C(=O)Nc1ccccc1C1c2ccc([nH]2)C(c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c2ccc([nH]2)C(c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c2ccc([nH]2)C(c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c2ccc1[nH]2Aglycone:
CC(N)C(=O)Nc1ccccc1C1c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc1[nH]2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 12 |
| HBD: | 19 | FractionCSP3: | 0.37 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 15 |
| MolWt: | 1241.31 | Num_heavy_atoms: | 90 |
| TPSA: | 416.42 | NumAromaticRings: | 8 |
Unique Aglycone
AD18695
Formula: C47H42O4N6
Smiles:
CC(N)C(=O)Nc1ccccc1C1c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc1[nH]2| HBA: | 10 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.13 |
| AlogP: | 8.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 754.89 | Num_heavy_atoms: | 57 |
| TPSA: | 178.97 | NumAromaticRings: | 8 |
