Glycoside
GD008452
Name:
NoneFormula:
C23H21O9N4PSmiles:
O=C(O)c1ccc(-c2cccc(-c3ncnc4c3ncn4[C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)c2)cc1Aglycone:
COP(=O)(O)O.O=C(O)c1ccc(-c2cccc(-c3ncnc4c3N=C[N]4)c2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.41 | Num_heavy_atoms: | 37 |
| TPSA: | 197.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD06748
Formula: C18H11O2N4
Smiles:
O=C(O)c1ccc(-c2cccc(-c3ncnc4c3N=C[N]4)c2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.31 | Num_heavy_atoms: | 24 |
| TPSA: | 89.54 | NumAromaticRings: | 3 |
