Glycoside
GD155068
Name:
Halicylindroside B3Formula:
C47H92O10N2Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1N=C(C)O)C(O)C(O)CCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCC(C)CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 9.18 | Num_rotatable_bonds: | 39 |
| MolWt: | 845.26 | Num_heavy_atoms: | 59 |
| TPSA: | 205.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD48501
Formula: C39H79O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.38 | Num_rotatable_bonds: | 35 |
| MolWt: | 642.06 | Num_heavy_atoms: | 45 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
