Glycoside
GD018208
Name:
NoneFormula:
C26H37O17N9P2Smiles:
CO[C@@H]1[C@H](O[P@@](=O)(NCCCC(C(=O)O)C(=O)O)OC[C@@H]2C[C@H](O)[C@H](n3ccc(N)nc3=O)O2)[C@H](COP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)O.Nc1ccn(C2OC(COP(=O)(O)NCCCC(C(=O)O)C(=O)O)CC2O)c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.58 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 18 |
| MolWt: | 809.58 | Num_heavy_atoms: | 54 |
| TPSA: | 387.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
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 |
AD06174
Formula: C15H23O10N4P
Smiles:
Nc1ccn(C2OC(COP(=O)(O)NCCCC(C(=O)O)C(=O)O)CC2O)c(=O)n1| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 450.34 | Num_heavy_atoms: | 30 |
| TPSA: | 223.53 | NumAromaticRings: | 1 |
