Glycoside
GD002727
Name:
NoneFormula:
C24H26O7N5PSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2N(Cc2ccccc2)Cc2ccccc2)[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 527.47 | Num_heavy_atoms: | 37 |
| TPSA: | 163.29 | NumAromaticRings: | 4 |
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 |
AD02569
Formula: C19H16N5
Smiles:
C1=Nc2c(ncnc2N(Cc2ccccc2)Cc2ccccc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.37 | Num_heavy_atoms: | 24 |
| TPSA: | 55.48 | NumAromaticRings: | 3 |
