Glycoside
GD132836
Name:
NoneFormula:
C56H90O21Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CCCC(C)C)C8C(OC(C)=O)CC9(C)C7=CCC6C5(C)C)OCC(O)C4O)C(C)C3O)C2O)C1OAglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCCC(C)C)C13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(C)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 15 |
| MolWt: | 1099.31 | Num_heavy_atoms: | 77 |
| TPSA: | 297.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD03061
Formula: C32H50O5
Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCCC(C)C)C13| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 6.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
