Glycoside
GD134599
Name:
pelargonidin 3-o-rutinosideFormula:
C27H33O14Smiles:
CC1OC(OCC2OC(OC3=Cc4c(O)cc(O)cc4OC3c3ccc([OH2+])cc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc([OH2+])cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 581.55 | Num_heavy_atoms: | 41 |
| TPSA: | 230.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD45029
Formula: C15H13O5
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc([OH2+])cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 92.82 | NumAromaticRings: | 2 |
