Glycoside
GD122994
Name:
4,5-dihydroxy-2-({2-[8-(hydroxymethyl)-4a-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl}oxy)oxan-3-yl acetateFormula:
C22H36O7Smiles:
CC(=O)OC1C(OC(C)(C)C2CCC3(C)CCCC(CO)=C3C2)OCC(O)C1OAglycone:
CC12CCCC(CO)=C1CC(C(C)(C)O)CC2Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.52 | Num_heavy_atoms: | 29 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD49609
Formula: C15H26O2
Smiles:
CC12CCCC(CO)=C1CC(C(C)(C)O)CC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
