Glycoside
GD121173
Name:
2-{[15-(6-ethyloctan-2-yl)-16-methylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadec-8-en-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H58O6Smiles:
CCC(CC)CCCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CCC(CC)CCCC(C)C1CCC2C3CC=C4CC(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 574.84 | Num_heavy_atoms: | 41 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD48746
Formula: C29H48O
Smiles:
CCC(CC)CCCC(C)C1CCC2C3CC=C4CC(O)CCC45CC35CCC12C| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 7.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
