Glycoside
GD004016
Name:
NoneFormula:
C21H30O7N8S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@H]1OAglycone:
CCS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 570.65 | Num_heavy_atoms: | 38 |
| TPSA: | 223.68 | NumAromaticRings: | 2 |
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 |
AD03568
Formula: C12H21O4N3S2
Smiles:
CCS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 335.45 | Num_heavy_atoms: | 21 |
| TPSA: | 104.37 | NumAromaticRings: | 0 |
