Glycoside
GD158018
Name:
2-({4,5-dihydroxy-2-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy]-6-methyloxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H64O13Smiles:
CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C4CC4OC5(CCC(CO)CO5)C(C)C43)C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 740.93 | Num_heavy_atoms: | 52 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD62405
Formula: C27H44O4
Smiles:
CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
