Glycoside
GD154834
Name:
4-(2,6-dimethylphenoxy)-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}oxane-3,5-diolFormula:
C41H60O8Smiles:
Cc1cccc(C)c1OC1C(O)C(CO)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CC4OC5(CCC(C)CO5)C(C)C43)C2)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cc1cccc(C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 680.92 | Num_heavy_atoms: | 49 |
| TPSA: | 106.84 | NumAromaticRings: | 1 |
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 |
AD29369
Formula: C8H10O
Smiles:
Cc1cccc(C)c1O| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
