Glycoside
GD004675
Name:
NoneFormula:
C27H31O9N5Smiles:
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 569.57 | Num_heavy_atoms: | 41 |
| TPSA: | 201.37 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD04051
Formula: C18H22O6
Smiles:
COC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.37 | Num_heavy_atoms: | 24 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
