Glycoside
GD133010
Name:
2-{[2-({6-butyl-3,6-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-16-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H64O14Smiles:
CCCCC1(O)OC2C(O)C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1CAglycone:
CCCCC1(O)OC2C(O)C3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 744.92 | Num_heavy_atoms: | 52 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD53847
Formula: C26H44O4
Smiles:
CCCCC1(O)OC2C(O)C3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.63 | Num_heavy_atoms: | 30 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
