Glycoside
GD144020
Name:
9-(but-1-en-1-yl)-13-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-14-methyl-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:
C42H64O14Smiles:
CCC=CC1CCCC(OC2OC(CO)C(O)C(OC)C2O)C(C)C(=O)C2=CC3C(C=CC4CC(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1Aglycone:
CCC=CC1CCCC(O)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OC.COC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 792.96 | Num_heavy_atoms: | 56 |
| TPSA: | 177.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45803
Formula: C26H36O5
Smiles:
CCC=CC1CCCC(O)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.57 | Num_heavy_atoms: | 31 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
