Glycoside
GD002373
Name:
NoneFormula:
C46H50O18Smiles:
COc1cc(C#Cc2cc(OC)c(C#Cc3cc(OC)c(C#CCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3OC)cc2OC)c(OC)cc1C#CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C#Cc2cc(OC)c(C#Cc3cc(OC)c(C#CCO)cc3OC)cc2OC)c(OC)cc1C#CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 890.89 | Num_heavy_atoms: | 64 |
| TPSA: | 254.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD02269
Formula: C34H30O8
Smiles:
COc1cc(C#Cc2cc(OC)c(C#Cc3cc(OC)c(C#CCO)cc3OC)cc2OC)c(OC)cc1C#CCO| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 566.61 | Num_heavy_atoms: | 42 |
| TPSA: | 95.84 | NumAromaticRings: | 3 |
