Glycoside
GD134458
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl 5-[2-(furan-3-yl)ethyl]-1,4a,6-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C31H46O12Smiles:
CC1=C(CCc2ccoc2)C2(C)CCCC(C)(C(=O)OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2CC1Aglycone:
CC1=C(CCc2ccoc2)C2(C)CCCC(C)(C(=O)O)C2CC1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.7 | Num_heavy_atoms: | 43 |
| TPSA: | 188.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD46633
Formula: C20H28O3
Smiles:
CC1=C(CCc2ccoc2)C2(C)CCCC(C)(C(=O)O)C2CC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.44 | Num_heavy_atoms: | 23 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
