Glycoside
GD036454
Name:
NoneFormula:
C20H20O6N3ClSmiles:
OC[C@@H]1O[C@H](n2cc(Cl)c3c(OCCOc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
ClC1=C[N]c2ncnc(OCCOc3ccccc3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 421.84 | Num_heavy_atoms: | 29 |
| TPSA: | 119.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD22985
Formula: C15H11O2N3Cl
Smiles:
ClC1=C[N]c2ncnc(OCCOc3ccccc3)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.71 | Num_heavy_atoms: | 20 |
| TPSA: | 58.34 | NumAromaticRings: | 2 |
