Glycoside
GD028602
Name:
POLYOXIN BFormula:
C17H25O13N5Smiles:
NC(=O)OC[C@H](O)[C@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2cc(CO)c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
NC(=O)OCC(O)C(O)C(N)C(=O)NCC(=O)O.O=c1[nH]cc(CO)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -6.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 507.41 | Num_heavy_atoms: | 35 |
| TPSA: | 309.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00386
Formula: C5H6O3N2
Smiles:
O=c1[nH]cc(CO)c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 85.95 | NumAromaticRings: | 1 |
AD07659
Formula: C8H15O7N3
Smiles:
NC(=O)OCC(O)C(O)C(N)C(=O)NCC(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 265.22 | Num_heavy_atoms: | 18 |
| TPSA: | 185.2 | NumAromaticRings: | 0 |
