Glycoside
GD140586
Name:
NirurinFormula:
C32H40O15Smiles:
CC(C)=CCc1c(O)c(O)c(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)c2c1OC(c1ccc(O)cc1)CC2=OAglycone:
CC(C)=CCc1c(O)c(O)c(O)c2c1OC(c1ccc(O)cc1)CC2=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 664.66 | Num_heavy_atoms: | 47 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD56684
Formula: C20H20O6
Smiles:
CC(C)=CCc1c(O)c(O)c(O)c2c1OC(c1ccc(O)cc1)CC2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
