Glycoside
GD062585
Name:
NoneFormula:
C12H16O7N5PSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c2ncn2ccnc32)[C@@H]1OAglycone:
C1=Nc2c(ncn3ccnc23)[N]1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 373.26 | Num_heavy_atoms: | 25 |
| TPSA: | 167.62 | 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 |
AD07502
Formula: C7H4N5
Smiles:
C1=Nc2c(ncn3ccnc23)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |
