Glycoside

GD036055
Name:
NoneFormula:
C43H68O15Smiles:
CC(=O)O[C@@H]1[C@@H]2O[C@]3(C(C)(C)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@](C)(O3)[C@H]2[C@]2(C)CC[C@@]34C[C@]35CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]5CC[C@H]4[C@]12CAglycone:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 9 |
HBD: | 7 | FractionCSP3: | 0.98 |
AlogP: | 1.66 | Num_rotatable_bonds: | 7 |
MolWt: | 825.0 | Num_heavy_atoms: | 58 |
TPSA: | 223.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD17644
Formula: C32H50O6
Smiles:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C12CHBA: | 6 | RingCount: | 7 |
HBD: | 2 | FractionCSP3: | 0.97 |
AlogP: | 5.37 | Num_rotatable_bonds: | 2 |
MolWt: | 530.75 | Num_heavy_atoms: | 38 |
TPSA: | 85.22 | NumAromaticRings: | 0 |