Glycoside
GD008173
Name:
NoneFormula:
C26H33O22N5P4Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(Cc5ccccc5)O[C@H]34)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C2OC(Cc3ccccc3)OC12.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 16 |
| MolWt: | 891.46 | Num_heavy_atoms: | 57 |
| TPSA: | 388.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD06564
Formula: C18H24O18N2P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C2OC(Cc3ccccc3)OC12| HBA: | 20 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 13 |
| MolWt: | 680.28 | Num_heavy_atoms: | 42 |
| TPSA: | 277.9 | NumAromaticRings: | 2 |
