Glycoside
GD095067
Name:
NoneFormula:
C22H31O8N3Smiles:
O=C(C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=C(NCCc1ccncc1)C1CCOC2CCNCC21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 465.5 | Num_heavy_atoms: | 33 |
| TPSA: | 169.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD40606
Formula: C16H23O2N3
Smiles:
O=C(NCCc1ccncc1)C1CCOC2CCNCC21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.38 | Num_heavy_atoms: | 21 |
| TPSA: | 63.25 | NumAromaticRings: | 1 |
