Glycoside
GD121533
Name:
Bidentatoside IiFormula:
C40H62O13Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC(OCC(=O)O)C(=O)O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(OCC(=O)O)C(=O)O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 750.92 | Num_heavy_atoms: | 53 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48926
Formula: C34H52O8
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(OCC(=O)O)C(=O)O)C(C)(C)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 6.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 588.78 | Num_heavy_atoms: | 42 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
