Glycoside
GD079613
Name:
NoneFormula:
C14H20O8N5PSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(/N=C4/CCOC4)ncnc32)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N=C2CCOC2)[N]1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.32 | Num_heavy_atoms: | 28 |
| TPSA: | 184.8 | NumAromaticRings: | 2 |
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 |
AD28638
Formula: C9H8ON5
Smiles:
C1=Nc2c(ncnc2N=C2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.2 | Num_heavy_atoms: | 15 |
| TPSA: | 73.83 | NumAromaticRings: | 1 |
