Glycoside
GD137067
Name:
cyanidin 3-o-beta-d-glucosideFormula:
C21H23O11Smiles:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(OC3OC(C[OH2+])C(O)C(O)C3O)C=C2C(O)=C1Aglycone:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 451.4 | Num_heavy_atoms: | 32 |
| TPSA: | 192.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD44954
Formula: C15H12O6
Smiles:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 1 |
