Glycoside
GD115843
Name:
(3,4,5-trihydroxy-6-{[5-(2-methyl-5-oxocyclopent-1-en-1-yl)pent-3-en-1-yl]oxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C26H32O10Smiles:
CC1=C(CC=CCCOC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)C(=O)CC1Aglycone:
CC1=C(CC=CCCO)C(=O)CC1.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 504.53 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD06830
Formula: C11H16O2
Smiles:
CC1=C(CC=CCCO)C(=O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 180.25 | Num_heavy_atoms: | 13 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
