Glycoside
GD021927
Name:
NoneFormula:
C28H48O16N8P3ISmiles:
CN(CCCCN(C)C(=O)CCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1O)C(=O)CCCCNC(=O)CIAglycone:
CN(CCCCN(C)C(=O)CCCCNc1ncnc2c1N=C[N]2)C(=O)CCCCNC(=O)CI.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 25 |
| MolWt: | 972.56 | Num_heavy_atoms: | 56 |
| TPSA: | 334.86 | NumAromaticRings: | 2 |
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 |
AD14921
Formula: C23H36O3N8I
Smiles:
CN(CCCCN(C)C(=O)CCCCNc1ncnc2c1N=C[N]2)C(=O)CCCCNC(=O)CI| HBA: | 11 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 17 |
| MolWt: | 599.5 | Num_heavy_atoms: | 35 |
| TPSA: | 133.99 | NumAromaticRings: | 1 |
