Glycoside
GD145668
Name:
Halicylindroside A4Formula:
C51H100O9N2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(O)C(O)C1N=C(C)O)C(O)C(O)CCCCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 11.77 | Num_rotatable_bonds: | 43 |
| MolWt: | 885.37 | Num_heavy_atoms: | 62 |
| TPSA: | 184.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD58449
Formula: C43H87O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.96 | Num_rotatable_bonds: | 39 |
| MolWt: | 682.17 | Num_heavy_atoms: | 48 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
