Glycoside
GD141185
Name:
NoneFormula:
C41H66O13Smiles:
CC(=O)OC1C(OCC2C(O)C(CO)OC(OC3CCC4(C(=O)O)C(=CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)C2O)OC(CO)C1OAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C(=O)O)C3CCC12CSugarmoiety:
CC(=O)OC1C(OCC2C(O)C(O)OC(CO)C2O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 14 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD56897
Formula: C27H44O3
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C(=O)O)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 6.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
