Glycoside
GD158103
Name:
4,12-bis(acetyloxy)-1-hydroxy-15-{[3-hydroxy-4-(2-methylbut-2-enamido)-4-phenylbut-1-en-2-yl]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:
C51H63O17NSmiles:
C=C(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)C)C(O)C(N=C(O)C(C)=CC)c1ccccc1Aglycone:
C=C(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)C(O)C(N=C(O)C(C)=CC)c1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 962.06 | Num_heavy_atoms: | 69 |
| TPSA: | 266.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD62436
Formula: C46H55O13N
Smiles:
C=C(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)C(O)C(N=C(O)C(C)=CC)c1ccccc1| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 829.94 | Num_heavy_atoms: | 60 |
| TPSA: | 207.71 | NumAromaticRings: | 2 |
