Glycoside
GD132449
Name:
[6-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C23H22O13Smiles:
Cc1cc(=O)c2c(O)cc(O)c(C3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O)c2o1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.Cc1cc(=O)c2c(O)cc(O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.42 | Num_heavy_atoms: | 36 |
| TPSA: | 227.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD05146
Formula: C10H8O4
Smiles:
Cc1cc(=O)c2c(O)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
