Glycoside
GD027488
Name:
NoneFormula:
C20H28O14N5P3Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1OC(n2cnc3c(O)nc(NCCCCc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Oc1nc(NCCCCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 14 |
| MolWt: | 655.39 | Num_heavy_atoms: | 42 |
| TPSA: | 285.37 | NumAromaticRings: | 3 |
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 |
AD18064
Formula: C15H16ON5
Smiles:
Oc1nc(NCCCCc2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.33 | Num_heavy_atoms: | 21 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
