Glycoside
GD140793
Name:
4,12-bis(acetyloxy)-15-[(3-hexanamido-2-hydroxy-3-phenylpropanoyl)oxy]-1-hydroxy-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:
C51H65O18NSmiles:
CCCCCC(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:
CCCCCC(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: | 0.61 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 15 |
| MolWt: | 980.07 | Num_heavy_atoms: | 70 |
| TPSA: | 283.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD56765
Formula: C46H57O14N
Smiles:
CCCCCC(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: | 0.57 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 13 |
| MolWt: | 847.95 | Num_heavy_atoms: | 61 |
| TPSA: | 224.78 | NumAromaticRings: | 2 |
