Glycoside
GD131027
Name:
6-[(1,12-dihydroxy-2,8,10-trimethyldodeca-2,6,10-trien-6-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 2-methylbut-2-enoateFormula:
C26H42O9Smiles:
CC=C(C)C(=O)OC1C(CO)OC(OC(=CC(C)CC(C)=CCO)CCC=C(C)CO)C(O)C1OAglycone:
CC(=CCCC(O)=CC(C)CC(C)=CCO)CO.CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD49669
Formula: C15H26O3
Smiles:
CC(=CCCC(O)=CC(C)CC(C)=CCO)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
