Glycoside
GD115878
Name:
Quercetin 3-Glycosides; Tri- And Higher Saccharides, 3-O-[4-Hydroxy-3-Methoxycinnamoyl-(->6)-β-D-Glucopyranosyl-(1->2)-β-D-Galactopyranosyl-(1->2)-β-D-Glucopyranoside]Formula:
C43H48O25Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3C(OC4C(Oc5c(-c6ccc(O)c(O)c6)oc6cc(O)cc(O)c6c5=O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.44 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 14 |
| MolWt: | 964.83 | Num_heavy_atoms: | 68 |
| TPSA: | 404.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | 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 |
