Glycoside
GD087913
Name:
NoneFormula:
C20H27O8N3Smiles:
O=C(NC[C@H]1OC[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]12)c1ccncc1Aglycone:
O=C(NCC1OCC2CCNCC21)c1ccncc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.45 | Num_heavy_atoms: | 31 |
| TPSA: | 169.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD38543
Formula: C14H19O2N3
Smiles:
O=C(NCC1OCC2CCNCC21)c1ccncc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.32 | Num_heavy_atoms: | 19 |
| TPSA: | 63.25 | NumAromaticRings: | 1 |
