Glycoside
GD122519
Name:
3-[2-(3,5-dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-en-1-yl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-oxopropanalFormula:
C33H54O8Smiles:
CCC=C(C)CC(C)C(CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CC=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CCC=C(C)CC(C)C(O)CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CC=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 578.79 | Num_heavy_atoms: | 41 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD49379
Formula: C27H44O3
Smiles:
CCC=C(C)CC(C)C(O)CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CC=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
