Glycoside
GD065934
Name:
NoneFormula:
C14H20O7N4Smiles:
O=C(C(=O)N1CCN(c2ncc(O)cn2)CC1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Oc1cnc(N2CCNCC2)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.34 | Num_heavy_atoms: | 25 |
| TPSA: | 167.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD31693
Formula: C8H12ON4
Smiles:
Oc1cnc(N2CCNCC2)nc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 61.28 | NumAromaticRings: | 1 |
