Glycoside
GD040433
Name:
udp-di-n-acetyl-alpha-bacillosamineFormula:
C19H30O16N4P2Smiles:
CC(=O)N[C@@H]1[C@@H](C)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](NC(C)=O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(NC(C)=O)C(O)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 632.41 | Num_heavy_atoms: | 41 |
| TPSA: | 294.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24768
Formula: C11H22O11N2P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(NC(C)=O)C(O)C1NC(C)=O| HBA: | 13 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.25 | Num_heavy_atoms: | 26 |
| TPSA: | 189.95 | NumAromaticRings: | 0 |
