Glycoside
GD006879
Name:
2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-16-[(3,4,5-trihydroxyoxan-2-yl)oxy]-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icos-1(20)-en-4-yl acetateFormula:
C37H58O9Smiles:
CC(=O)O[C@@H]1C[C@]2(C)C3=CCC4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)C3CCC23C(=O)O[C@](C)(CCCC(C)C)[C@H]13Aglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCCC(C)C)C13Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD03061
Formula: C32H50O5
Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCCC(C)C)C13| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 6.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
