Glycoside
GD154050
Name:
Ansacarbamitocin DFormula:
C36H47O15N4ClSmiles:
CN=C(O)OC1CC(=O)N(C2OC(CO)C(OC(=N)O)C(O)C2O)c2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12CAglycone:
CN=C(O)OC1CC(=O)Nc2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12CSugarmoiety:
N=C(O)OC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 799.23 | Num_heavy_atoms: | 55 |
| TPSA: | 289.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD45174
Formula: C29H36O9N3Cl
Smiles:
CN=C(O)OC1CC(=O)Nc2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12C| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 594.06 | Num_heavy_atoms: | 41 |
| TPSA: | 174.96 | NumAromaticRings: | 1 |
