Glycoside
GD018112
Name:
FIJIOLIDE AFormula:
C36H38O10N2Cl2Smiles:
CC(=O)N[C@@H]1CC(=O)OC[C@H](O)c2ccc3c(c2Cl)C2=CC=C[C@@]2(O[C@@H]2OC(C)(C)[C@H](N(C)C)[C@H](O)[C@H]2O)[C@H]3Oc2c(O)cc1cc2ClAglycone:
CC(=O)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: | 12 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 705.59 | Num_heavy_atoms: | 48 |
| TPSA: | 167.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD12831
Formula: C27H21O7NCl2
Smiles:
CC(=O)NC1CC(=O)OCC(O)c2ccc3c(c2Cl)C2=CC=CC2(O)C3Oc2c(O)cc1cc2Cl| HBA: | 8 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 518.35 | Num_heavy_atoms: | 35 |
| TPSA: | 125.32 | NumAromaticRings: | 2 |
