Glycoside
GD152151
Name:
tunicamycin c3Formula:
C40H65O16N3Smiles:
CCC(C)CCCCCCCCCC=CC(O)=NC1C(OC2OC(CO)C(O)C(O)C2N=C(C)O)OC(CC(O)C2OC(C3C=CC(O)=NC3=O)C(O)C2O)C(O)C1OAglycone:
CCC(C)CCCCCCCCCC=CC(=N)O.O=C1CC=CC(O)=N1Sugarmoiety:
CC(O)=NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.8 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 21 |
| MolWt: | 843.97 | Num_heavy_atoms: | 59 |
| TPSA: | 313.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD60608
Formula: C16H31ON
Smiles:
CCC(C)CCCCCCCCCC=CC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 12 |
| MolWt: | 253.43 | Num_heavy_atoms: | 18 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
AD60609
Formula: C5H5O2N
Smiles:
O=C1CC=CC(O)=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 49.66 | NumAromaticRings: | 0 |
