Glycoside
GD024044
Name:
NoneFormula:
C14H25O12N6P3Smiles:
CCC(C)c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CCC(C)C1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OP(=O)(O)NP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.31 | Num_heavy_atoms: | 35 |
| TPSA: | 281.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD00256
Formula: CH8O9NP3
Smiles:
COP(=O)(O)OP(=O)(O)NP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.99 | Num_heavy_atoms: | 14 |
| TPSA: | 162.62 | NumAromaticRings: | 0 |
AD05594
Formula: C9H12N5
Smiles:
CCC(C)C1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.23 | Num_heavy_atoms: | 14 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
