Glycoside
GD133682
Name:
cyanidin 3-(2g-xylosylrutinoside)Formula:
C32H41O19Smiles:
CC1OC(OCC2OC(OC3=Cc4c(O)cc([OH2+])cc4OC3c3ccc(O)c(O)c3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 729.66 | Num_heavy_atoms: | 51 |
| TPSA: | 310.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD45250
Formula: C15H13O6
Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.05 | NumAromaticRings: | 2 |
