Glycoside
GD134367
Name:
Sambucin ChlorideFormula:
C27H33O15Smiles:
CC1OC(OCC2OC(OC3=Cc4c(O)cc([OH2+])cc4OC3c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
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: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 597.55 | Num_heavy_atoms: | 42 |
| TPSA: | 251.12 | 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 |
