Glycoside
GD146728
Name:
20,21-dihydroxy-1,6,6,10,14,16,19,19-octamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-18,22-dioxahexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²³.0¹â·,²¹]tetracos-2-en-13-yl acetateFormula:
C37H58O11Smiles:
CC(=O)OC1CC2C(=CCC3C(C)(C)C(OC4OCC(O)C(O)C4O)CCC23C)C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12CAglycone:
CC(=O)OC1CC2C(=CCC3C(C)(C)C(O)CCC23C)C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD58813
Formula: C32H50O7
Smiles:
CC(=O)OC1CC2C(=CCC3C(C)(C)C(O)CCC23C)C2(C)CC3OC4(O)C(OC(C)(C)C4O)C(C)C3C12C| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
