Glycoside
GD133177
Name:
Halicylindroside A3Formula:
C50H98O9N2Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(O)C(O)C1N=C(C)O)C(O)C(O)CCCCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(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: | 11.38 | Num_rotatable_bonds: | 42 |
| MolWt: | 871.34 | Num_heavy_atoms: | 61 |
| TPSA: | 184.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD53916
Formula: C42H85O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.57 | Num_rotatable_bonds: | 38 |
| MolWt: | 668.14 | Num_heavy_atoms: | 47 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
