Glycoside
GD138220
Name:
8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C26H37O8NSmiles:
CC(C)=CCc1cc(C(=O)OC2CC3CCC(C2)N3C)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)OC2CC3CCC(C2)N3C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.58 | Num_heavy_atoms: | 35 |
| TPSA: | 128.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD55812
Formula: C20H27O3N
Smiles:
CC(C)=CCc1cc(C(=O)OC2CC3CCC(C2)N3C)ccc1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 329.44 | Num_heavy_atoms: | 24 |
| TPSA: | 49.77 | NumAromaticRings: | 1 |
