Glycoside
GD150367
Name:
2-({4-[(6-ethyl-4,5-dihydroxy-3-methyloxan-2-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C47H76O15Smiles:
CCC1OC(OC2C(O)C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(C)CO6)C(C)C54)C3)C2OC2OC(C)C(O)C(O)C2O)C(C)C(O)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CCC1OC(OC2C(O)C(CO)OC(O)C2OC2OC(C)C(O)C(O)C2O)C(C)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 881.11 | Num_heavy_atoms: | 62 |
| TPSA: | 215.45 | 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 |
