Glycoside
GD121330
Name:
2-{[2-({5-[2-(furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C32H50O11Smiles:
CC1=C(CCc2ccoc2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(C)(C)C2CC1Aglycone:
CC1=C(CCc2ccoc2)C2(C)CCC(O)C(C)(C)C2CC1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.74 | Num_heavy_atoms: | 43 |
| TPSA: | 171.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD45383
Formula: C20H30O2
Smiles:
CC1=C(CCc2ccoc2)C2(C)CCC(O)C(C)(C)C2CC1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 33.37 | NumAromaticRings: | 1 |
