Glycoside
GD009537
Name:
NoneFormula:
C19H31O15N7P3ISmiles:
O=C(I)NCC(=O)NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=C(I)NCC(=O)NCCCCCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.63 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 18 |
| MolWt: | 817.32 | Num_heavy_atoms: | 45 |
| TPSA: | 323.34 | 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 |
AD07470
Formula: C14H19O2N7I
Smiles:
O=C(I)NCC(=O)NCCCCCCNc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 444.26 | Num_heavy_atoms: | 24 |
| TPSA: | 122.47 | NumAromaticRings: | 1 |
