Glycoside
GD036603
Name:
NoneFormula:
C16H18O7N5PSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccccc2)[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.32 | Num_heavy_atoms: | 29 |
| TPSA: | 172.08 | NumAromaticRings: | 3 |
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 |
AD10061
Formula: C11H8N5
Smiles:
C1=Nc2c(ncnc2Nc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
