Glycoside
GD114280
Name:
cyanidin 3-o-(2-o-beta-xylopyranosyl)-beta-galactopyranosideFormula:
C26H31O15Smiles:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(OC3OC(C[OH2+])C(O)C(O)C3OC3OCC(O)C(O)C3O)C=C2C(O)=C1Aglycone:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1COC(OC2C(O)OC(C[OH2+])C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 583.52 | Num_heavy_atoms: | 41 |
| TPSA: | 251.12 | 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 |
