Glycoside
GD123272
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-18',19'-dioloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H64O14Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD49725
Formula: C27H44O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
