Glycoside
GD147208
Name:
2,4-dihydroxy-6-methyl-3-(3,7,11-trimethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dodeca-2,6-dien-1-yl)benzaldehydeFormula:
C29H44O9Smiles:
CC(=CCc1c(O)cc(C)c(C=O)c1O)CCC=C(C)CCCC(C)(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCc1c(O)cc(C)c(C=O)c1O)CCC=C(C)CCCC(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 13 |
| MolWt: | 536.66 | Num_heavy_atoms: | 38 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD58964
Formula: C23H34O4
Smiles:
CC(=CCc1c(O)cc(C)c(C=O)c1O)CCC=C(C)CCCC(C)(C)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
