Glycoside
GD122241
Name:
SambucinFormula:
C27H33O15Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)OC4C=C([OH2+])C=C(O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12Sugarmoiety:
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: | -2.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 597.55 | Num_heavy_atoms: | 42 |
| TPSA: | 251.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD45113
Formula: C15H13O6
Smiles:
OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.05 | NumAromaticRings: | 1 |
