Glycoside
GD035200
Name:
NoneFormula:
C49H74O14F2Smiles:
CCC(C)[C@@H]1O[C@]2(C[C@@H]3C[C@H](CC=C(C)[C@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@H](C(=O)O3)[C@]45O)O2)CC(F)(F)[C@H]1CAglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(F)(F)C1CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 925.11 | Num_heavy_atoms: | 65 |
| TPSA: | 159.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD22285
Formula: C35H50O8F2
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(F)(F)C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 636.77 | Num_heavy_atoms: | 45 |
| TPSA: | 103.68 | NumAromaticRings: | 0 |
