Glycoside
GD091667
Name:
NoneFormula:
C21H19O6N5Smiles:
O=c1ccn([C@@H]2O[C@@](CO)(n3cc(-c4cccc5ccccc45)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
C1=C(c2cccc3ccccc23)N=N[N]1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 437.41 | Num_heavy_atoms: | 32 |
| TPSA: | 155.49 | NumAromaticRings: | 4 |
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 |
AD04315
Formula: C12H8N3
Smiles:
C1=C(c2cccc3ccccc23)N=N[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.22 | Num_heavy_atoms: | 15 |
| TPSA: | 38.82 | NumAromaticRings: | 2 |
