Glycoside
GD020866
Name:
NoneFormula:
C23H29O15N5P2Smiles:
CC(=O)c1cccc(-c2nc3c(N)ncnc3n2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c1Aglycone:
CC(=O)c1cccc(C2=Nc3c(N)ncnc3[N]2)c1.COP(=O)(O)OP(=O)(O)OCSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 11 |
| MolWt: | 677.45 | Num_heavy_atoms: | 45 |
| TPSA: | 308.59 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD14336
Formula: C13H10ON5
Smiles:
CC(=O)c1cccc(C2=Nc3c(N)ncnc3[N]2)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.26 | Num_heavy_atoms: | 19 |
| TPSA: | 95.33 | NumAromaticRings: | 2 |
