Glycoside
GD134881
Name:
Tunicamycin D3Formula:
C37H60O16N4Smiles:
CCCCCCCCCCCC=CC(O)=NC1C(OC2OC(CO)C(O)C(O)C2N=C(C)O)OC(CC(O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C(O)C1OAglycone:
CCCCCCCCCCCC=CC(=N)O.O=c1nc(O)cc[nH]1Sugarmoiety:
CC(O)=NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.78 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 20 |
| MolWt: | 816.9 | Num_heavy_atoms: | 57 |
| TPSA: | 319.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD54561
Formula: C14H27ON
Smiles:
CCCCCCCCCCCC=CC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 225.38 | Num_heavy_atoms: | 16 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
