Glycoside
GD136577
Name:
2-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C44H70O16Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 855.03 | Num_heavy_atoms: | 60 |
| TPSA: | 235.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
