Glycoside
GD124768
Name:
5-hydroxy-3-{[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]methyl}-2-(3,4,5-trihydroxyphenyl)-7H-chromen-7-oneFormula:
C21H20O12Smiles:
O=c1cc2oc(-c3cc(O)c(O)c(O)c3)c(COC3OC(O)C(O)C(O)C3O)cc-2c(O)c1Aglycone:
O=c1cc2oc(-c3cc(O)c(O)c(O)c3)c(CO)cc-2c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.38 | Num_heavy_atoms: | 33 |
| TPSA: | 210.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD50424
Formula: C16H12O7
Smiles:
O=c1cc2oc(-c3cc(O)c(O)c(O)c3)c(CO)cc-2c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 131.36 | NumAromaticRings: | 1 |
