Glycoside
GD144692
Name:
4-(acetyloxy)-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-methylidene-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-oxatetracyclo[11.3.1.0³,¹â°.0â´,â·]heptadec-13-en-2-yl benzoateFormula:
C35H46O13Smiles:
C=C1C(O)C2=C(C)C(O)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(OC4OCC(O)C(O)C4O)C13C)C2(C)CAglycone:
C=C1C(O)C2=C(C)C(O)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C13C)C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 674.74 | Num_heavy_atoms: | 48 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD58125
Formula: C30H38O9
Smiles:
C=C1C(O)C2=C(C)C(O)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C13C)C2(C)C| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 542.63 | Num_heavy_atoms: | 39 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
