Glycoside
GD004073
Name:
SIBOFIMLOCFormula:
C35H39O11NSmiles:
CC(=O)N1CCC2(CC1)c1cc(C#C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc1-c1ccc(C#C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc12Aglycone:
C#Cc1ccc2c(c1)C1(CCN(C(C)=O)CC1)c1cc(C#C)ccc1-2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.51 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 649.69 | Num_heavy_atoms: | 47 |
| TPSA: | 200.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD03611
Formula: C23H19ON
Smiles:
C#Cc1ccc2c(c1)C1(CCN(C(C)=O)CC1)c1cc(C#C)ccc1-2| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.26 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 325.41 | Num_heavy_atoms: | 25 |
| TPSA: | 20.31 | NumAromaticRings: | 2 |
