Glycoside
GD142030
Name:
5-hydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C21H26O10Smiles:
CC(=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)cc(C)oc12)COAglycone:
CC(=CCc1c(O)cc(O)c2c(=O)cc(C)oc12)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 170.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD52278
Formula: C15H16O5
Smiles:
CC(=CCc1c(O)cc(O)c2c(=O)cc(C)oc12)CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
