Glycoside
GD114288
Name:
Mycaloside IFormula:
C52H86O22Smiles:
CC(C)C(=CCO)CCC(C)C1CC(O)C2C3=CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)C(=CCO)CCC(C)C1CC(O)C2C3=CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)COC(OC3C(O)C(O)OC(CO)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.92 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 17 |
| MolWt: | 1063.24 | Num_heavy_atoms: | 74 |
| TPSA: | 357.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD44959
Formula: C29H48O3
Smiles:
CC(C)C(=CCO)CCC(C)C1CC(O)C2C3=CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.7 | Num_heavy_atoms: | 32 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
