Glycoside
GD079563
Name:
NoneFormula:
C18H28O6N5Smiles:
O=C(C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1cc(N2CCNCC2)nc(N2CCCC2)[nH+]1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.45 | Num_heavy_atoms: | 29 |
| TPSA: | 151.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD36366
Formula: C12H20N5
Smiles:
c1cc(N2CCNCC2)nc(N2CCCC2)[nH+]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.33 | Num_heavy_atoms: | 17 |
| TPSA: | 45.54 | NumAromaticRings: | 1 |
