Glycoside
GD134428
Name:
1-[18-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-8-ethoxy-15-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-8-yl]-2-methylpropan-1-oneFormula:
C42H68O13Smiles:
CCOC1(C(=O)C(C)C)CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1Aglycone:
CCOC1(C(=O)C(C)C)CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD54382
Formula: C32H52O5
Smiles:
CCOC1(C(=O)C(C)C)CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
