Glycoside
GD132753
Name:
2-({2-[(3,5-dihydroxy-2-{14'-methoxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}-6-methyloxan-4-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C45H72O17Smiles:
COC1CC(OC2OC(C)C(O)C(OC3OCC(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C21CAglycone:
COC1CC(O)CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C21CSugarmoiety:
CC1OC(O)C(O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 885.05 | Num_heavy_atoms: | 62 |
| TPSA: | 244.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53745
Formula: C28H44O4
Smiles:
COC1CC(O)CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C21C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
