Glycoside
GD102872
Name:
NoneFormula:
C22H22O6N5ClSmiles:
O=C(Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1(c2cccc(Cl)c2)CCC1Aglycone:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1(c2cccc(Cl)c2)CCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.89 | Num_heavy_atoms: | 33 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43545
Formula: C17H14O2N5Cl
Smiles:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1(c2cccc(Cl)c2)CCC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.77 | Num_heavy_atoms: | 24 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
