Glycoside
GD017215
Name:
NoneFormula:
C19H31O11N6P2ISmiles:
O=C(CI)NCCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.O=C(CI)NCCCCCCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 16 |
| MolWt: | 708.34 | Num_heavy_atoms: | 39 |
| TPSA: | 247.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD11633
Formula: C14H20ON6I
Smiles:
O=C(CI)NCCCCCCCNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 415.26 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
