Glycoside
GD033304
Name:
NoneFormula:
C20H20O5N3ClSmiles:
OC[C@@H]1O[C@H](n2cc(Cl)c3c(OCCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
ClC1=C[N]c2ncnc(OCCc3ccccc3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.84 | Num_heavy_atoms: | 28 |
| TPSA: | 109.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD21272
Formula: C15H11ON3Cl
Smiles:
ClC1=C[N]c2ncnc(OCCc3ccccc3)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.71 | Num_heavy_atoms: | 19 |
| TPSA: | 49.11 | NumAromaticRings: | 2 |
