Glycoside
GD073795
Name:
NoneFormula:
C15H19O7N5Smiles:
CC1(c2cn([C@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3O)nn2)COC1Aglycone:
CC1(C2=C[N]N=N2)COC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 381.35 | Num_heavy_atoms: | 27 |
| TPSA: | 164.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD26155
Formula: C6H8ON3
Smiles:
CC1(C2=C[N]N=N2)COC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.15 | Num_heavy_atoms: | 10 |
| TPSA: | 48.05 | NumAromaticRings: | 0 |
