Glycoside
GD140732
Name:
Acutanguloside EFormula:
C59H86O22Smiles:
CC=C(C)C(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21COAglycone:
CC=C(C)C(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21COSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.78 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 13 |
| MolWt: | 1147.32 | Num_heavy_atoms: | 81 |
| TPSA: | 347.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD53514
Formula: C42H60O7
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 676.94 | Num_heavy_atoms: | 49 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
