Glycoside
GD134675
Name:
3,13-dihydroxy-9-(3-hydroxybut-1-en-1-yl)-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:
C35H52O11Smiles:
COC1C(C)OC(OC2CC3C(C=CC4C5CC(=O)OC(C=CC(C)O)CCCC(O)C(C)C(=O)C5=CC43)C2O)C(OC)C1OCAglycone:
CC(O)C=CC1CCCC(O)C(C)C(=O)C2=CC3C(C=CC4C(O)C(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 150.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD54476
Formula: C26H36O7
Smiles:
CC(O)C=CC1CCCC(O)C(C)C(=O)C2=CC3C(C=CC4C(O)C(O)CC43)C2CC(=O)O1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 460.57 | Num_heavy_atoms: | 33 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
