Glycoside
GD129130
Name:
Halicylindroside B6Formula:
C49H96O10N2Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1N=C(C)O)C(O)C(O)CCCCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 9.96 | Num_rotatable_bonds: | 41 |
| MolWt: | 873.31 | Num_heavy_atoms: | 61 |
| TPSA: | 205.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD48310
Formula: C41H83O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.16 | Num_rotatable_bonds: | 37 |
| MolWt: | 670.12 | Num_heavy_atoms: | 47 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
