Glycoside
GD017644
Name:
4,12-bis(acetyloxy)-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-oxatetracyclo[11.3.1.0³,¹â°.0â´,â·]heptadec-13-en-2-yl benzoateFormula:
C36H46O15Smiles:
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)CAglycone:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 718.75 | Num_heavy_atoms: | 51 |
| TPSA: | 224.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD12576
Formula: C31H38O11
Smiles:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 586.63 | Num_heavy_atoms: | 42 |
| TPSA: | 165.89 | NumAromaticRings: | 1 |
