Glycoside
GD024417
Name:
NoneFormula:
C17H21O13N4P3Smiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(Cc4ccccc4)ncnc32)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)OAglycone:
C1=Nc2c(Cc3ccccc3)ncnc2[N]1.COP(=O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.29 | Num_heavy_atoms: | 37 |
| TPSA: | 253.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
AD02720
Formula: C12H9N4
Smiles:
C1=Nc2c(Cc3ccccc3)ncnc2[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.23 | Num_heavy_atoms: | 16 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
