Glycoside
GD118716
Name:
Robinetin 3-RutinosideFormula:
C27H30O16Smiles:
CC1OC(OCC2OC(Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)ccc4c3=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD47493
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12| 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 |
