Glycoside
GD030668
Name:
NoneFormula:
C16H21O9N3Smiles:
OC[C@@H]1O[C@H](OCc2cn(Cc3cc(O)c(O)c(O)c3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCc1cn(Cc2cc(O)c(O)c(O)c2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.36 | Num_heavy_atoms: | 28 |
| TPSA: | 190.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD19834
Formula: C10H11O4N3
Smiles:
OCc1cn(Cc2cc(O)c(O)c(O)c2)nn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.22 | Num_heavy_atoms: | 17 |
| TPSA: | 111.63 | NumAromaticRings: | 2 |
