Glycoside
GD155716
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5,19,20-trioxaspiro[hexacyclo[16.2.2.0¹,¹².0²,â¹.0â´,â¸.0¹³,¹â¸]docosane-6,2'-oxan]-21-en-8-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H60O15Smiles:
CC1CCC2(OC1)OC1CC3C45C=CC6(CC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C4CCC3(C)C1(O)C2C)OO5Aglycone:
CC1CCC2(OC1)OC1CC3C45C=CC6(CC(O)CCC6(C)C4CCC3(C)C1(O)C2C)OO5Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 768.89 | Num_heavy_atoms: | 54 |
| TPSA: | 215.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD61734
Formula: C27H40O6
Smiles:
CC1CCC2(OC1)OC1CC3C45C=CC6(CC(O)CCC6(C)C4CCC3(C)C1(O)C2C)OO5| HBA: | 6 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.61 | Num_heavy_atoms: | 33 |
| TPSA: | 77.38 | NumAromaticRings: | 0 |
