Glycoside
GD118158
Name:
cyanidin 3-(2g-galloylrutinoside)Formula:
C34H37O19Smiles:
CC1OC(OCC2OC(OC3=Cc4c(O)cc([OH2+])cc4OC3c3ccc(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)c1cc(O)c(O)c(O)c1.OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.38 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 749.65 | Num_heavy_atoms: | 53 |
| TPSA: | 317.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
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 |
