Glycoside
GD157152
Name:
2,10-bis(acetyloxy)-4,14,16,16-tetramethyl-8-methylidene-13-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxatetracyclo[9.4.1.0¹,¹â´.0â´,â¹]hexadecan-3-yl acetateFormula:
C32H46O14Smiles:
C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)CAglycone:
C=C1C(O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 654.71 | Num_heavy_atoms: | 46 |
| TPSA: | 207.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD62159
Formula: C26H36O9
Smiles:
C=C1C(O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34OC3(C)C(=O)CC(C(OC(C)=O)C12)C4(C)C| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 492.57 | Num_heavy_atoms: | 35 |
| TPSA: | 128.73 | NumAromaticRings: | 0 |
