Glycoside
GD134835
Name:
Mycaloside BFormula:
C50H82O23Smiles:
CCC(C)C=CC(CO)C1CC(O)C2C3CC=C4C(O)C(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:
CCC(C)C=CC(CO)C1CC(O)C2C3CC=C4C(O)C(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: | 23 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.92 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 16 |
| MolWt: | 1051.18 | Num_heavy_atoms: | 73 |
| TPSA: | 377.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD54541
Formula: C27H44O4
Smiles:
CCC(C)C=CC(CO)C1CC(O)C2C3CC=C4C(O)C(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
