Glycoside
GD126791
Name:
4-{8'-methyl-6'-oxo-3'-[(2,3,4,5,6-pentahydroxyhexyl)peroxy]-4',6'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-5-yl}pyrrolidin-2-oneFormula:
C28H37O11NSmiles:
Cc1cc(=O)c2cc3c(cc2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 563.6 | Num_heavy_atoms: | 40 |
| TPSA: | 191.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD51316
Formula: C22H25O5N
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(O)C3| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 383.44 | Num_heavy_atoms: | 28 |
| TPSA: | 92.26 | NumAromaticRings: | 2 |
