Glycoside
GD088002
Name:
NoneFormula:
C21H30O8N2Smiles:
O=C(C(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1cncc(COCC23CCCOC2CCNC3)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.48 | Num_heavy_atoms: | 31 |
| TPSA: | 149.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD38563
Formula: C15H22O2N2
Smiles:
c1cncc(COCC23CCCOC2CCNC3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 262.35 | Num_heavy_atoms: | 19 |
| TPSA: | 43.38 | NumAromaticRings: | 1 |
