Glycoside
GD035076
Name:
NoneFormula:
C28H32O15N6P2Smiles:
NC(=O)c1cc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1Oc1ccccc1Aglycone:
COP(=O)(O)OP(=O)(O)OC.NC(=O)c1ccccc1Oc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 13 |
| MolWt: | 754.54 | Num_heavy_atoms: | 51 |
| TPSA: | 323.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD11425
Formula: C13H11O2N
Smiles:
NC(=O)c1ccccc1Oc1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.24 | Num_heavy_atoms: | 16 |
| TPSA: | 52.32 | NumAromaticRings: | 2 |
