Glycoside
GD135330
Name:
1,7-dihydroxy-13-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)methyl]-5,8-dimethyl-5-(octa-3,5-dien-1-yl)-4,15-dioxabicyclo[9.3.1]pentadecan-3-oneFormula:
C32H54O9Smiles:
CCC=CC=CCCC1(C)CC(O)C(C)CCC2CC(CC3OC(C)C(OC)C(O)C3OC)CC(O)(CC(=O)O1)O2Aglycone:
CCC=CC=CCCC1(C)CC(O)C(C)CCC2CC(C)CC(O)(CC(=O)O1)O2Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.78 | Num_heavy_atoms: | 41 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54724
Formula: C24H40O5
Smiles:
CCC=CC=CCCC1(C)CC(O)C(C)CCC2CC(C)CC(O)(CC(=O)O1)O2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.58 | Num_heavy_atoms: | 29 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
