Glycoside
GD142211
Name:
Quercetin 3-Glucosyl-(1->4)-Rhamnoside-7-RutinosideFormula:
C39H50O25Smiles:
CC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)c(-c5ccc(O)c(O)c5)oc4c3)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(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.62 |
| AlogP: | -5.36 | 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 |
