Glycoside
GD117190
Name:
Mycaloside JFormula:
C50H82O22Smiles:
CC(C)CCCC(CO)C1CC(=O)C2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)CCCC(CO)C1CC(=O)C2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.94 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 17 |
| MolWt: | 1035.18 | Num_heavy_atoms: | 72 |
| TPSA: | 353.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46682
Formula: C27H44O3
Smiles:
CC(C)CCCC(CO)C1CC(=O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
