Glycoside
GD134290
Name:
Myricetin 3-O-[Beta-D-Glucopyranosyl-(1->2)-Alpha-L-Rhamnopyranoside] 7-O-NeohesperidosideFormula:
C39H50O26Smiles:
CC1OC(OC2C(Oc3cc(O)c4c(=O)c(OC5OC(C)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)c(-c5cc(O)c(O)c(O)c5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.62 |
| AlogP: | -5.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 934.8 | Num_heavy_atoms: | 65 |
| TPSA: | 427.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD01074
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
