Glycoside
GD032183
Name:
NoneFormula:
C52H91O9N3Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)c1cnn(Cc2ccc(CCCCCC)cc2)c1Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)c1cnn(Cc2ccc(CCCCCC)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 9.13 | Num_rotatable_bonds: | 39 |
| MolWt: | 902.31 | Num_heavy_atoms: | 64 |
| TPSA: | 186.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD20661
Formula: C46H81O4N3
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)c1cnn(Cc2ccc(CCCCCC)cc2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 11.31 | Num_rotatable_bonds: | 36 |
| MolWt: | 740.17 | Num_heavy_atoms: | 53 |
| TPSA: | 107.61 | NumAromaticRings: | 2 |
