Glycoside
GD116981
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-19'-en-20'-oloxy}oxan-3-yl]oxy}oxane-2,3,4,5-tetrolFormula:
C38H60O14Smiles:
CC1CCC2(OC1)OC1CC3C4C(O)=CC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4C(O)=CC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 740.88 | Num_heavy_atoms: | 52 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD46566
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4C(O)=CC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
