Glycoside
GD116247
Name:
Mycaloside HFormula:
C51H82O23Smiles:
C=C(CCC(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)C3CCC12C)C(C)CAglycone:
C=C(CCC(CO)C1CC(=O)C2C3CC=C4C(O)C(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
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: | 14 | FractionCSP3: | 0.9 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 17 |
| MolWt: | 1063.19 | Num_heavy_atoms: | 74 |
| TPSA: | 374.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD46127
Formula: C28H44O4
Smiles:
C=C(CCC(CO)C1CC(=O)C2C3CC=C4C(O)C(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
