Glycoside
GD130646
Name:
2-({2-[8-(acetyloxy)-4a,8-dimethyl-decahydronaphthalen-2-yl]propan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C25H42O9Smiles:
CC(=O)OC1C(OC(C)(C)C2CCC3(C)CCCC(C)(OC(C)=O)C3C2)OC(CO)C(O)C1OAglycone:
CC(=O)OC1(C)CCCC2(C)CCC(C(C)(C)O)CC21Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.6 | Num_heavy_atoms: | 34 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD52940
Formula: C17H30O3
Smiles:
CC(=O)OC1(C)CCCC2(C)CCC(C(C)(C)O)CC21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.42 | Num_heavy_atoms: | 20 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
