Glycoside
GD153327
Name:
2-{[5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-2',8'-dioloxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C44H70O18Smiles:
CC1CCC2(OC1)OC1CC3(O)C4CC=C5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2CAglycone:
CC1CCC2(OC1)OC1CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 887.03 | Num_heavy_atoms: | 62 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48134
Formula: C27H42O5
Smiles:
CC1CCC2(OC1)OC1CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
