Glycoside
GD057631
Name:
NoneFormula:
C14H19O6N3Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1(c2ncccn2)CC1Aglycone:
NC(=O)C1(c2ncccn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.32 | Num_heavy_atoms: | 23 |
| TPSA: | 145.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD28914
Formula: C8H9ON3
Smiles:
NC(=O)C1(c2ncccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.18 | Num_heavy_atoms: | 12 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
