Glycoside
GD073454
Name:
NoneFormula:
C18H25O6N3Smiles:
O=C(C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1cncc(CN2CCC3NCCC32)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 379.41 | Num_heavy_atoms: | 27 |
| TPSA: | 134.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD34049
Formula: C12H17N3
Smiles:
c1cncc(CN2CCC3NCCC32)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 203.29 | Num_heavy_atoms: | 15 |
| TPSA: | 28.16 | NumAromaticRings: | 1 |
