Glycoside
GD018880
Name:
FIJIOLIDE BFormula:
C34H36O9N2Cl2Smiles:
CN(C)[C@@H]1[C@H](O)[C@H](O)[C@H](O[C@@]23C=CC=C2c2c4ccc(c2Cl)[C@H](O)COC(=O)C[C@H](N)c2cc(O)c(c(Cl)c2)O[C@H]43)OC1(C)CAglycone:
NC1CC(=O)OCC(O)c2ccc3c(c2Cl)C2=CC=CC2(O)C3Oc2c(O)cc1cc2ClSugarmoiety:
CN(C)C1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 663.55 | Num_heavy_atoms: | 45 |
| TPSA: | 164.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD13236
Formula: C25H19O6NCl2
Smiles:
NC1CC(=O)OCC(O)c2ccc3c(c2Cl)C2=CC=CC2(O)C3Oc2c(O)cc1cc2Cl| HBA: | 7 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 476.31 | Num_heavy_atoms: | 32 |
| TPSA: | 122.24 | NumAromaticRings: | 2 |
