Glycoside
GD128897
Name:
11-({[3,5-bis(acetyloxy)-4-hydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-1,5-dimethyl-8-(propan-2-yl)-15-oxatricyclo[10.2.1.0â´,â¹]pentadeca-5,13-dien-2-yl 3-(1-methyl-1H-imidazol-4-yl)prop-2-enoateFormula:
C36H50O11N2Smiles:
CC(=O)OC1COC(OCC2CC3C(CC(OC(=O)C=Cc4cn(C)cn4)C4(C)C=CC2(O)O4)C(C)=CCC3C(C)C)C(OC(C)=O)C1OAglycone:
CC1=CCC(C(C)C)C2CC(CO)C3(O)C=CC(C)(O3)C(OC(=O)C=Cc3cn(C)cn3)CC12Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 686.8 | Num_heavy_atoms: | 49 |
| TPSA: | 164.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD52209
Formula: C27H38O5N2
Smiles:
CC1=CCC(C(C)C)C2CC(CO)C3(O)C=CC(C)(O3)C(OC(=O)C=Cc3cn(C)cn3)CC12| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.61 | Num_heavy_atoms: | 34 |
| TPSA: | 93.81 | NumAromaticRings: | 1 |
