Glycoside
GD016156
Name:
NoneFormula:
C20H30O8N7PSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OCCCCCC1SCC2NC(=O)NC21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 559.54 | Num_heavy_atoms: | 37 |
| TPSA: | 216.2 | 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 |
AD11670
Formula: C11H21O5N2PS
Smiles:
COP(=O)(O)OCCCCCC1SCC2NC(=O)NC21| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 324.34 | Num_heavy_atoms: | 20 |
| TPSA: | 96.89 | NumAromaticRings: | 0 |
