Glycoside
GD123549
Name:
23-O-[Alpha-L-(4'-Acetylrhamnopyranosyl]-3Beta-Acetylimberbic AcidFormula:
C40H62O11Smiles:
CC(=O)OC1C(C)OC(OCC2(C)C(OC(C)=O)CC(O)C3(C)C2CCC2(C)C3CC=C3C4CC(C)(C(=O)O)CCC4(C)CCC32C)C(O)C1OAglycone:
CC(=O)OC1CC(O)C2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1(C)COSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 718.93 | Num_heavy_atoms: | 51 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD49876
Formula: C32H50O6
Smiles:
CC(=O)OC1CC(O)C2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1(C)CO| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
