Glycoside
GD126537
Name:
4,12-bis(acetyloxy)-1-hydroxy-15-{[2-hydroxy-3-(2-methylbut-2-enamido)-3-phenylpropanoyl]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:
C50H61O18NSmiles:
CC=C(C)C(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(OC4OCC(O)C(O)C4O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)CAglycone:
CC=C(C)C(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 964.03 | Num_heavy_atoms: | 69 |
| TPSA: | 283.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD51212
Formula: C45H53O14N
Smiles:
CC=C(C)C(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.51 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 831.91 | Num_heavy_atoms: | 60 |
| TPSA: | 224.78 | NumAromaticRings: | 2 |
