Glycoside
GD014836
Name:
6-{[7-(1-carboxy-1-hydroxypropyl)-12-ethyl-8-(hydroxymethyl)-9-oxo-9H,11H-indolizino[1,2-b]quinolin-2-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C28H30O12N2Smiles:
CCc1c2c(nc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)cc13)-c1cc([C@](O)(CC)C(=O)O)c(CO)c(=O)n1C2Aglycone:
CCc1c2c(nc3ccc(O)cc13)-c1cc(C(O)(CC)C(=O)O)c(CO)c(=O)n1C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.55 | Num_heavy_atoms: | 42 |
| TPSA: | 229.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD10866
Formula: C22H22O6N2
Smiles:
CCc1c2c(nc3ccc(O)cc13)-c1cc(C(O)(CC)C(=O)O)c(CO)c(=O)n1C2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.43 | Num_heavy_atoms: | 30 |
| TPSA: | 132.88 | NumAromaticRings: | 3 |
