Glycoside
GD126692
Name:
2-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H72O18Smiles:
CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)CCC5(C)C4CCC32C)OC12CCCCO2Aglycone:
CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)OC12CCCCO2Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 889.04 | Num_heavy_atoms: | 62 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD51279
Formula: C26H42O3
Smiles:
CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)OC12CCCCO2| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 402.62 | Num_heavy_atoms: | 29 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
