Glycoside
GD133727
Name:
CadeguomycinFormula:
C12H14O7N4Smiles:
N=c1nc(O)c2c(C(=O)O)cn(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C=C2C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.26 | Num_heavy_atoms: | 23 |
| TPSA: | 184.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD54106
Formula: C7H5O3N4
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=C2C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 193.14 | Num_heavy_atoms: | 14 |
| TPSA: | 124.16 | NumAromaticRings: | 1 |
