Glycoside
GD007541
Name:
NoneFormula:
C24H27O10N9Smiles:
O=c1ccn([C@@H]2O[C@H](Cn3cc(-c4cccc(-c5cn([C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)nn5)n4)nn3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Cn1cc(-c2cccc(C3=C[N]N=N3)n2)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -4.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 601.53 | Num_heavy_atoms: | 43 |
| TPSA: | 269.01 | 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 |
AD06127
Formula: C10H8N7
Smiles:
Cn1cc(-c2cccc(C3=C[N]N=N3)n2)nn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.22 | Num_heavy_atoms: | 17 |
| TPSA: | 82.42 | NumAromaticRings: | 2 |
