Glycoside
GD123039
Name:
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxo-4H-chromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C21H18O13Smiles:
O=C(Oc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O)C1OC(O)C(O)C(O)C1OAglycone:
O=COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 478.36 | Num_heavy_atoms: | 34 |
| TPSA: | 227.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD49629
Formula: C16H10O8
Smiles:
O=COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 137.43 | NumAromaticRings: | 3 |
