Glycoside
GD128121
Name:
4,12-bis(acetyloxy)-1-hydroxy-15-{[2-hydroxy-3-(N-methylhexanamido)-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:
C52H67O18NSmiles:
CCCCCC(=O)N(C)C(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)N(C)C(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: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 15 |
| MolWt: | 994.1 | Num_heavy_atoms: | 71 |
| TPSA: | 271.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD51899
Formula: C47H59O14N
Smiles:
CCCCCC(=O)N(C)C(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: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 13 |
| MolWt: | 861.98 | Num_heavy_atoms: | 62 |
| TPSA: | 212.5 | NumAromaticRings: | 2 |
