Glycoside
GD158045
Name:
4,12-bis(acetyloxy)-1-hydroxy-15-{[2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-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:
C52H59O18NSmiles:
CC(=O)OC1C(=O)C2(C)C(OC3OCC(O)C(O)C3O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(N=C(O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)CAglycone:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(N=C(O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 986.03 | Num_heavy_atoms: | 71 |
| TPSA: | 283.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD62413
Formula: C47H51O14N
Smiles:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(N=C(O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C| HBA: | 15 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 853.92 | Num_heavy_atoms: | 62 |
| TPSA: | 224.78 | NumAromaticRings: | 3 |
