Glycoside
GD130325
Name:
9-(but-1-en-1-yl)-13-hydroxy-4,14-dimethyl-2-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dioneFormula:
C36H54O9Smiles:
CCC=CC1CCCC(O)C(C)C(=O)C2=CC3C(C=C(C)C4CC(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1Aglycone:
CCC=CC1CCCC(O)C(C)C(=O)C2=CC3C(C=C(C)C4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 630.82 | Num_heavy_atoms: | 45 |
| TPSA: | 109.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD52809
Formula: C27H38O5
Smiles:
CCC=CC1CCCC(O)C(C)C(=O)C2=CC3C(C=C(C)C4CC(O)CC43)C2CC(=O)O1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.6 | Num_heavy_atoms: | 32 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
