Glycoside
GD071815
Name:
NoneFormula:
C17H27O7N4Smiles:
COC(=O)C1CCN(c2cc[nH+]c(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)n2)CC1Aglycone:
COC(=O)C1CCN(c2cc[nH+]c(N)n2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.42 | Num_heavy_atoms: | 28 |
| TPSA: | 158.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD33731
Formula: C11H17O2N4
Smiles:
COC(=O)C1CCN(c2cc[nH+]c(N)n2)CC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.28 | Num_heavy_atoms: | 17 |
| TPSA: | 82.59 | NumAromaticRings: | 1 |
