Glycoside
GD139652
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-hydroxy-5,9-dimethyl-13-methylidene-14-oxotetracyclo[10.2.2.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C26H38O9Smiles:
C=C1C(=O)C23CCC1CC2(O)C1(C)CCCC(C)(C(=O)OC2OC(CO)C(O)C(O)C2O)C1CC3Aglycone:
C=C1C(=O)C23CCC1CC2(O)C1(C)CCCC(C)(C(=O)O)C1CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 494.58 | Num_heavy_atoms: | 35 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD56315
Formula: C20H28O4
Smiles:
C=C1C(=O)C23CCC1CC2(O)C1(C)CCCC(C)(C(=O)O)C1CC3| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
