Glycoside
GD081319
Name:
NoneFormula:
C18H26O7N4Smiles:
O=C(C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1cnc(N2CCCC3(CNCCO3)C2)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.43 | Num_heavy_atoms: | 29 |
| TPSA: | 156.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD36644
Formula: C12H18ON4
Smiles:
c1cnc(N2CCCC3(CNCCO3)C2)cn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 50.28 | NumAromaticRings: | 1 |
