Glycoside
GD140921
Name:
8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C31H45O8NSmiles:
CC(C)=CCc1cc(C(=O)OC2CC3CCC(C2)N3C)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)OC2CC3CCC(C2)N3C)cc(CC=C(C)C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 559.7 | Num_heavy_atoms: | 40 |
| TPSA: | 128.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD56808
Formula: C25H35O3N
Smiles:
CC(C)=CCc1cc(C(=O)OC2CC3CCC(C2)N3C)cc(CC=C(C)C)c1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 397.56 | Num_heavy_atoms: | 29 |
| TPSA: | 49.77 | NumAromaticRings: | 1 |
