Glycoside
GD142864
Name:
2-({6-[(4,5-dihydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-3-yl)oxy]-3,5-dihydroxyoxan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H70O16Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OCC(OC7OC(OC8OC(CO)C(O)C(O)C8O)C(O)CC7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2OC(OC3COC(O)C(O)C3O)C(O)CC2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 843.02 | Num_heavy_atoms: | 59 |
| TPSA: | 235.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD01572
Formula: C27H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
