Glycoside
GD120139
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-hydroxy-5,9-dimethyl-14-methylidene-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C32H50O14Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2(O)CCC1(OC1OC(CO)C(O)C(O)C1O)C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2(O)CCC1(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 658.74 | Num_heavy_atoms: | 46 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD48228
Formula: C20H30O4
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2(O)CCC1(O)C3| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
