Glycoside
GD104051
Name:
3-(quinolin-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C24H21O8NSmiles:
O=c1c(-c2ccc3ccccc3n2)coc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12Aglycone:
O=c1c(-c2ccc3ccccc3n2)coc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 451.43 | Num_heavy_atoms: | 33 |
| TPSA: | 142.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD43959
Formula: C18H11O3N
Smiles:
O=c1c(-c2ccc3ccccc3n2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.29 | Num_heavy_atoms: | 22 |
| TPSA: | 63.33 | NumAromaticRings: | 4 |
