Glycoside
GD138435
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methyl]-4H-chromen-4-oneFormula:
C21H20O11Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(CC3OC(O)C(O)C(O)C3O)c(O)c12Aglycone:
Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 201.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD55878
Formula: C16H12O6
Smiles:
Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
