Glycoside
GD127700
Name:
2-({4-[1-(5-ethyl-6-methylheptan-2-yl)-4,7a-dimethyl-octahydro-1H-inden-5-yl]-4-methylcyclohexyl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H62O6Smiles:
CCC(CCC(C)C1CCC2C(C)C(C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)CC3)CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C(C)C(C3(C)CCC(O)CC3)CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.86 | Num_heavy_atoms: | 40 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD51718
Formula: C28H52O
Smiles:
CCC(CCC(C)C1CCC2C(C)C(C3(C)CCC(O)CC3)CCC12C)C(C)C| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 8.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.72 | Num_heavy_atoms: | 29 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
