Glycoside
GD009483
Name:
NoneFormula:
C27H38O22N9P3Smiles:
Nc1ccn(C2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2OP(=O)(O)OC[C@H]2OC(n3ccc(N)nc3=O)[C@@H](OP(=O)(O)OC[C@H]3OC(n4ccc(N)nc4=O)[C@H](O)[C@H]3O)[C@@H]2O)c(=O)n1Aglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -5.25 | Num_rotatable_bonds: | 16 |
| MolWt: | 933.56 | Num_heavy_atoms: | 61 |
| TPSA: | 469.62 | 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 |
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 |
