Glycoside
GD115907
Name:
Quercetin 3-(3'''-Benzoylsophoroside)-7-RhamnosideFormula:
C40H44O22Smiles:
CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(OC(=O)c5ccccc5)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1OAglycone:
O=C(O)c1ccccc1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.45 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 876.77 | Num_heavy_atoms: | 62 |
| TPSA: | 354.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(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 |
