Glycoside
GD137383
Name:
{3,4,5-trihydroxy-6-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C28H28O11Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)c2o1Aglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.52 | Num_heavy_atoms: | 39 |
| TPSA: | 183.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD06372
Formula: C13H12O4
Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
