Glycoside
GD147423
Name:
Polyoxin CFormula:
C11H15O8N3Smiles:
NC(C(=O)O)C1OC(n2cc(CO)c(O)nc2=O)C(O)C1OAglycone:
NCC(=O)O.O=c1nc(O)c(CO)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.25 | Num_heavy_atoms: | 22 |
| TPSA: | 188.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD07773
Formula: C2H5O2N
Smiles:
NCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD48114
Formula: C5H6O3N2
Smiles:
O=c1nc(O)c(CO)c[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 86.21 | NumAromaticRings: | 1 |
