Glycoside
GD013530
Name:
NoneFormula:
C24H28O13N5P3Smiles:
O=P(O)(O)OP(=O)(O)OP(=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)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 13 |
| MolWt: | 687.43 | Num_heavy_atoms: | 45 |
| TPSA: | 256.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | 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 |
