Glycoside
GD155006
Name:
PolyoxinFormula:
C11H13O8N3Smiles:
NC(C=O)C1OC(n2cc(C(=O)O)c(O)nc2=O)C(O)C1OAglycone:
O=C(O)c1c[nH]c(=O)nc1OSugarmoiety:
NC(C=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.24 | Num_heavy_atoms: | 22 |
| TPSA: | 185.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD52488
Formula: C5H4O4N2
Smiles:
O=C(O)c1c[nH]c(=O)nc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.1 | Num_heavy_atoms: | 11 |
| TPSA: | 103.28 | NumAromaticRings: | 1 |
