Glycoside
GD029301
Name:
NoneFormula:
C20H22O5N3ClSmiles:
CC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3cnc(C(N)=O)nc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC(=O)c1ncc(Cc2ccccc2Cl)cn1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.85 | Num_heavy_atoms: | 28 |
| TPSA: | 138.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD19072
Formula: C13H10ON3Cl
Smiles:
NC(=O)c1ncc(Cc2ccccc2Cl)cn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.69 | Num_heavy_atoms: | 17 |
| TPSA: | 68.87 | NumAromaticRings: | 2 |
