Glycoside
GD144379
Name:
Quercetin 3-O-α-L-Rhamnopyranosyl (1†’6)-O-[β -D-Glucopyranosyl (1†’3)-O-α-L-Rhamnopyranosyl-(1†’2)]-O-β -D-GlucopyranosylFormula:
C39H50O25Smiles:
CC1OC(OCC2OC(OC3C(O)C(C)OC(OC4C(Oc5c(-c6ccc(O)c(O)c6)oc6cc(O)cc(O)c6c5=O)OC(CO)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(OC3C(O)C(C)OC(OC4C(O)OC(CO)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.62 |
| AlogP: | -5.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 918.8 | Num_heavy_atoms: | 64 |
| TPSA: | 407.5 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
