Glycoside
GD133054
Name:
N-(3-{[4-(acetyloxy)-2-(benzoyloxy)-1,12-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-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl)-4-methylhexanimidic acidFormula:
C50H65O17NSmiles:
CCC(C)CCC(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(O)C(=C1C)C2(C)CAglycone:
CCC(C)CCC(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(O)C(=C1C)C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 14 |
| MolWt: | 952.06 | Num_heavy_atoms: | 68 |
| TPSA: | 277.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD53862
Formula: C45H57O13N
Smiles:
CCC(C)CCC(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(O)C(=C1C)C2(C)C| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 819.95 | Num_heavy_atoms: | 59 |
| TPSA: | 218.71 | NumAromaticRings: | 2 |
