Glycoside
GD134575
Name:
Halicylindroside A1Formula:
C48H94O9N2Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(O)C(O)C1N=C(C)O)C(O)C(O)CCCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 10.6 | Num_rotatable_bonds: | 40 |
| MolWt: | 843.28 | Num_heavy_atoms: | 59 |
| TPSA: | 184.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD54443
Formula: C40H81O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 11.79 | Num_rotatable_bonds: | 36 |
| MolWt: | 640.09 | Num_heavy_atoms: | 45 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
