Glycoside
GD014391
Name:
NoneFormula:
C21H27O11N8PSSmiles:
NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)CC(=O)NC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)n1Aglycone:
CNC(=O)CP(=O)(O)OC.NC(=O)c1cscn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 630.53 | Num_heavy_atoms: | 42 |
| TPSA: | 300.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00051
Formula: C4H4ON2S
Smiles:
NC(=O)c1cscn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
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 |
AD10584
Formula: C4H10O4NP
Smiles:
CNC(=O)CP(=O)(O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 167.1 | Num_heavy_atoms: | 10 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
