Glycoside
GD021172
Name:
Quercetin 3-O-(3-O-Methyl-Alpha-L-Rhamnopyranosyl-(1->5)-O-Beta-D-Apiofuranoside)Formula:
C27H30O15Smiles:
CO[C@H]1[C@H](O)[C@@H](OC[C@]2(O)CO[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H]2O)O[C@@H](C)[C@H]1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
COC1C(O)C(C)OC(OCC2(O)COC(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 238.2 | 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 |
