Glycoside
GD136689
Name:
NoneFormula:
C55H88O22Smiles:
COC1OCC(O)C(O)C1OC1OC(C)C(OC2OC(CO)C(O)C(OC3OCC(O)C(OC4CCC5(C)C6CCC78C(=O)OC(C)(CCCC(C)C)C7C(OC(C)=O)CC8(C)C6=CCC5C4(C)C)C3O)C2O)C(O)C1OAglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCCC(C)C)C13Sugarmoiety:
COC1OCC(O)C(O)C1OC1OC(C)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 15 |
| MolWt: | 1101.29 | Num_heavy_atoms: | 77 |
| TPSA: | 317.74 | 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 |
