Glycoside
GD134413
Name:
6-hydroxycyanidin 3-rutinosideFormula:
C27H33O16Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc(O)c(O)c4O)OC3c3ccc([OH2+])c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(cc(O)c(O)c2O)OC1c1ccc([OH2+])c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 613.55 | Num_heavy_atoms: | 43 |
| TPSA: | 271.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD54376
Formula: C15H13O7
Smiles:
OC1=Cc2c(cc(O)c(O)c2O)OC1c1ccc([OH2+])c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 133.28 | NumAromaticRings: | 2 |
