Glycoside
GD148054
Name:
Polyoxin OFormula:
C17H22O8N4Smiles:
CC=C1CN(C(=O)C(N)C2OC(n3cc(C)c(O)nc3=O)C(O)C2O)C1C(=O)OAglycone:
CC=C1CN(C(=O)CN)C1C(=O)O.Cc1c[nH]c(=O)nc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.38 | Num_heavy_atoms: | 29 |
| TPSA: | 188.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD08955
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD56932
Formula: C8H12O3N2
Smiles:
CC=C1CN(C(=O)CN)C1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 83.63 | NumAromaticRings: | 0 |
