Glycoside
GD121221
Name:
18-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosane-8,15-dioneFormula:
C36H54O12Smiles:
CC1CC(=O)OC2CC3(C)C4CC(=O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C12Aglycone:
CC1CC(=O)OC2CC3(C)C4CC(=O)C5C(C)(C)C(O)CCC56CC46CCC3(C)C12Sugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 678.82 | Num_heavy_atoms: | 48 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD48771
Formula: C26H38O4
Smiles:
CC1CC(=O)OC2CC3(C)C4CC(=O)C5C(C)(C)C(O)CCC56CC46CCC3(C)C12| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.59 | Num_heavy_atoms: | 30 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
