Glycoside
GD025011
Name:
NoneFormula:
C11H17O11N5P2Smiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)O)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
COP(=O)([O-])OP(=O)(O)O.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.23 | Num_heavy_atoms: | 29 |
| TPSA: | 246.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD02176
Formula: C6H7ON5
Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.16 | Num_heavy_atoms: | 12 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
AD03077
Formula: CH5O7P2
Smiles:
COP(=O)([O-])OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.99 | Num_heavy_atoms: | 10 |
| TPSA: | 116.12 | NumAromaticRings: | 0 |
