Glycoside
GD127495
Name:
peonidin 3-rutinosideFormula:
C28H35O15Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 611.57 | Num_heavy_atoms: | 43 |
| TPSA: | 240.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD51633
Formula: C16H15O6
Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 303.29 | Num_heavy_atoms: | 22 |
| TPSA: | 102.05 | NumAromaticRings: | 2 |
