Glycoside
GD040373
Name:
edagdpFormula:
C16H25O13N7P2Smiles:
CCC(=O)NCCNC(=O)O[C@H]1[C@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OAglycone:
CCC(=O)NCCNC(=O)O.COP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 585.36 | Num_heavy_atoms: | 38 |
| TPSA: | 299.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
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 |
AD24744
Formula: C6H12O3N2
Smiles:
CCC(=O)NCCNC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 160.17 | Num_heavy_atoms: | 11 |
| TPSA: | 78.43 | NumAromaticRings: | 0 |
