Glycoside
GD117134
Name:
O-3'-(Beta-Methyl)Valeroyl Alpha-Bisabolol Beta-D-FucopyranosideFormula:
C27H46O6Smiles:
CCC(C)CC(=O)OC1C(O)C(C)OC(OC(C)(CCC=C(C)C)C2CC=C(C)CC2)C1OAglycone:
CC(C)=CCCC(C)(O)C1CC=C(C)CC1.CCC(C)CC(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 466.66 | Num_heavy_atoms: | 33 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD10980
Formula: C15H26O
Smiles:
CC(C)=CCCC(C)(O)C1CC=C(C)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD19106
Formula: C6H12O2
Smiles:
CCC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
