Glycoside
GD096412
Name:
NoneFormula:
C17H23O8N6PSmiles:
CCn1cc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]2O)ccc1=OAglycone:
CCn1cc(Nc2ncnc3c2N=C[N]3)ccc1=O.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.38 | Num_heavy_atoms: | 32 |
| TPSA: | 197.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD40035
Formula: C12H11ON6
Smiles:
CCn1cc(Nc2ncnc3c2N=C[N]3)ccc1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.26 | Num_heavy_atoms: | 19 |
| TPSA: | 86.27 | NumAromaticRings: | 2 |
