Glycoside
GD151152
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,9-dimethyl-14-methylidene-15-oxo-11-oxapentacyclo[11.2.2.0¹,¹â°.0â´,â¹.0¹â°,¹²]heptadecane-5-carboxylateFormula:
C26H36O9Smiles:
C=C1C(=O)C23CCC1C1OC12C1(C)CCCC(C)(C(=O)OC2OC(CO)C(O)C(O)C2O)C1CC3Aglycone:
C=C1C(=O)C23CCC1C1OC12C1(C)CCCC(C)(C(=O)O)C1CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 492.57 | Num_heavy_atoms: | 35 |
| TPSA: | 146.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD60308
Formula: C20H26O4
Smiles:
C=C1C(=O)C23CCC1C1OC12C1(C)CCCC(C)(C(=O)O)C1CC3| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.42 | Num_heavy_atoms: | 24 |
| TPSA: | 66.9 | NumAromaticRings: | 0 |
