Glycoside
GD130681
Name:
Quercetin 3-Glucuronide-7-RutinosideFormula:
C33H38O22Smiles:
CC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(OC5OC(C(=O)O)C(O)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(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.52 |
| AlogP: | -4.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 786.65 | Num_heavy_atoms: | 55 |
| TPSA: | 365.65 | 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 |
