Glycoside
GD155783
Name:
Polyoxin FFormula:
C23H30O15N6Smiles:
CC=C1CN(C(=O)C(N=C(O)C(N)C(O)C(O)COC(=N)O)C2OC(n3cc(C(=O)O)c(O)nc3=O)C(O)C2O)C1C(=O)OAglycone:
CC=C1CN(C(=O)CN=C(O)C(N)C(O)C(O)COC(=N)O)C1C(=O)O.O=C(O)c1c[nH]c(=O)nc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -4.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 630.52 | Num_heavy_atoms: | 44 |
| TPSA: | 352.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD44960
Formula: C14H22O8N4
Smiles:
CC=C1CN(C(=O)CN=C(O)C(N)C(O)C(O)COC(=N)O)C1C(=O)O| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.35 | Num_heavy_atoms: | 26 |
| TPSA: | 209.99 | NumAromaticRings: | 0 |
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 |
