Glycoside
GD131592
Name:
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-[(1,2,3,4,5-pentahydroxypentyl)oxy]-4H-chromen-4-oneFormula:
C20H20O13Smiles:
O=c1c(OC(O)C(O)C(O)C(O)CO)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.25 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.37 | Num_heavy_atoms: | 33 |
| TPSA: | 241.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD06961
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
