Glycoside
GD017933
Name:
NoneFormula:
C46H52O14N2Smiles:
COc1cc(C#Cc2ccc(C#CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2N(C)C)c(OC)cc1C#Cc1ccc(C#CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1N(C)CAglycone:
COc1cc(C#Cc2ccc(C#CCO)cc2N(C)C)c(OC)cc1C#Cc1ccc(C#CCO)cc1N(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 856.92 | Num_heavy_atoms: | 62 |
| TPSA: | 223.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD12737
Formula: C34H32O4N2
Smiles:
COc1cc(C#Cc2ccc(C#CCO)cc2N(C)C)c(OC)cc1C#Cc1ccc(C#CCO)cc1N(C)C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.64 | Num_heavy_atoms: | 40 |
| TPSA: | 65.4 | NumAromaticRings: | 3 |
