Glycoside
GD123204
Name:
N-(2-{[5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C32H44O10NClSmiles:
CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)C(CC1(C)C(C)CCC(=O)C1C)OC1OC(CO)C(O)C(O)C1N=C(C)OAglycone:
CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.14 | Num_heavy_atoms: | 43 |
| TPSA: | 186.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD44614
Formula: C24H31O5Cl
Smiles:
CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)C(O)CC1(C)C(C)CCC(=O)C1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.95 | Num_heavy_atoms: | 29 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
