Glycoside
GD155142
Name:
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 6-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C31H48O12Smiles:
C=C1CC23CCC4C(C)(CCC(O)C4(C)C(=O)OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)C2CCC1C3Aglycone:
C=C1CC23CCC4C(C)(CCC(O)C4(C)C(=O)O)C2CCC1C3Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 612.71 | Num_heavy_atoms: | 43 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD61556
Formula: C20H30O3
Smiles:
C=C1CC23CCC4C(C)(CCC(O)C4(C)C(=O)O)C2CCC1C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
