Glycoside
GD037360
Name:
NoneFormula:
C23H27O18N6P3Smiles:
C#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H]([n+]3cccc(C(=O)[O-])c3)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OP(=O)(O)OAglycone:
C#CC1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OP(=O)(O)OC.O=C([O-])c1ccc[nH+]c1.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 13 |
| MolWt: | 768.42 | Num_heavy_atoms: | 50 |
| TPSA: | 361.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD07522
Formula: C7H4N5
Smiles:
C#CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD16228
Formula: C6H5O2N
Smiles:
O=C([O-])c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.27 | NumAromaticRings: | 1 |
