Glycoside
GD118341
Name:
2-({4-hydroxy-8-[(2,3,4,5-tetrahydroxy-6-oxohexanoyl)oxy]quinolin-2-yl}formamido)acetic acidFormula:
C18H18O11N2Smiles:
O=CC(O)C(O)C(O)C(O)C(=O)Oc1cccc2c(O)cc(C(O)=NCC(=O)O)nc12Aglycone:
O=C(O)CN=C(O)c1cc(O)c2ccccc2n1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)C(=O)OOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.35 | Num_heavy_atoms: | 31 |
| TPSA: | 227.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD47306
Formula: C12H10O4N2
Smiles:
O=C(O)CN=C(O)c1cc(O)c2ccccc2n1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 103.01 | NumAromaticRings: | 2 |
