Glycoside
GD131160
Name:
2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-5,14'-dioloxy}oxane-3,4,5-triolFormula:
C33H54O10Smiles:
CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC32C)OC12CCC(C)(O)CO2Aglycone:
CC1C2C(CC3C4CCC5CC(O)CC(O)C5(C)C4CCC32C)OC12CCC(C)(O)CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 610.79 | Num_heavy_atoms: | 43 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD48917
Formula: C27H44O5
Smiles:
CC1C2C(CC3C4CCC5CC(O)CC(O)C5(C)C4CCC32C)OC12CCC(C)(O)CO2| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
