Glycoside
GD009356
Name:
8-hydroxy-4,6,12,17,17-pentamethyl-8-(2-methylpropanoyl)-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-3-yl acetateFormula:
C37H58O10Smiles:
CC(=O)O[C@@H]1C[C@@]23C[C@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@](O)(C(=O)C(C)C)C[C@H](C)[C@H]3[C@]12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC(O)(C(=O)C(C)C)CC(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD07340
Formula: C32H50O6
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC(O)(C(=O)C(C)C)CC(C)C3C12C| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
