Glycoside
GD154345
Name:
cyanidin 3-arabinoside-5-glucosideFormula:
C26H31O15Smiles:
Oc1cc2c(c(OC3OC(C[OH2+])C(O)C(O)C3O)c1)C=C(OC1OCC(O)C(O)C1O)C(c1ccc(O)c(O)c1)O2Aglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 583.52 | Num_heavy_atoms: | 41 |
| TPSA: | 251.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
