Glycoside
GD004050
Name:
PENTISOMICINFormula:
C19H37O7N5Smiles:
CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3OC(CN)=CC[C@H]3N)[C@H]2O)OC[C@]1(C)OAglycone:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.53 | Num_heavy_atoms: | 31 |
| TPSA: | 213.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD02378
Formula: C12H24O4N4
Smiles:
NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.35 | Num_heavy_atoms: | 20 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
