Glycoside
GD117178
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[5,7',9',13'-tetramethyl-20'-(propan-2-yl)-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-5-oloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C42H68O13Smiles:
CC(C)C1C=C2CC(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)CCC2(C)C2CCC3(C)C(CC4OC5(CCC(C)(O)CO5)C(C)C43)C12Aglycone:
CC(C)C1C=C2CC(O)CCC2(C)C2CCC3(C)C(CC4OC5(CCC(C)(O)CO5)C(C)C43)C12Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD46676
Formula: C30H48O4
Smiles:
CC(C)C1C=C2CC(O)CCC2(C)C2CCC3(C)C(CC4OC5(CCC(C)(O)CO5)C(C)C43)C12| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
