Glycoside
GD128276
Name:
Halicylindroside A2Formula:
C49H96O9N2Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(O)C(O)C1N=C(C)O)C(O)C(O)CCCCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCCC(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: | 10.99 | Num_rotatable_bonds: | 41 |
| MolWt: | 857.31 | Num_heavy_atoms: | 60 |
| TPSA: | 184.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD47983
Formula: C41H83O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.18 | Num_rotatable_bonds: | 37 |
| MolWt: | 654.12 | Num_heavy_atoms: | 46 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
