Glycoside
GD125009
Name:
8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methoxy-5-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C27H39O9NSmiles:
COc1cc(C(=O)OC2CC3CCC(C2)N3C)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(=O)OC2CC3CCC(C2)N3C)cc(CC=C(C)C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 521.61 | Num_heavy_atoms: | 37 |
| TPSA: | 138.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD50551
Formula: C21H29O4N
Smiles:
COc1cc(C(=O)OC2CC3CCC(C2)N3C)cc(CC=C(C)C)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 359.47 | Num_heavy_atoms: | 26 |
| TPSA: | 59.0 | NumAromaticRings: | 1 |
