Glycoside
GD099433
Name:
NoneFormula:
C22H19O8N2ClSmiles:
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.84 | Num_heavy_atoms: | 32 |
| TPSA: | 157.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD42278
Formula: C16H11O2N2Cl
Smiles:
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.72 | Num_heavy_atoms: | 20 |
| TPSA: | 61.69 | NumAromaticRings: | 2 |
