Glycoside
GD009201
Name:
NoneFormula:
C37H42O6N8S2Smiles:
CN1C(=Cc2cc[n+](CCCC(=O)N[C@H](CC[S+](C)C[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)C(=O)O)c3ccccc23)Sc2ccccc21Aglycone:
CN1C(=Cc2cc[n+](CCCC(=O)NC(CC[S+](C)C)C(=O)O)c3ccccc23)Sc2ccccc21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 758.93 | Num_heavy_atoms: | 53 |
| TPSA: | 192.83 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07235
Formula: C28H33O3N3S2
Smiles:
CN1C(=Cc2cc[n+](CCCC(=O)NC(CC[S+](C)C)C(=O)O)c3ccccc23)Sc2ccccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 523.72 | Num_heavy_atoms: | 36 |
| TPSA: | 73.52 | NumAromaticRings: | 3 |
