Glycoside
GD120214
Name:
2-{[12-hydroxy-16-methyl-15-(pentan-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H50O7Smiles:
CCCC(C)C1CCC2(O)C3CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CCCC(C)C1CCC2(O)C3CCC4CC(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.72 | Num_heavy_atoms: | 37 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD48259
Formula: C24H40O2
Smiles:
CCCC(C)C1CCC2(O)C3CCC4CC(O)CCC45CC35CCC12C| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.58 | Num_heavy_atoms: | 26 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
