Glycoside
GD024515
Name:
NoneFormula:
C20H27O14N7P2Smiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3[C@H](CO)O[C@H](n4cnc5c(N)ncnc54)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 651.42 | Num_heavy_atoms: | 43 |
| TPSA: | 305.92 | NumAromaticRings: | 3 |
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 |
AD16349
Formula: C10H16O11N2P2
Smiles:
Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.19 | Num_heavy_atoms: | 25 |
| TPSA: | 197.61 | NumAromaticRings: | 1 |
