Glycoside
GD152204
Name:
4-{2-[10-(2-hydroxyethyl)-2,8-dimethyl-6-oxo-3-[(2,3,4,5,6-pentahydroxyhexyl)peroxy]-2H,3H,4H,6H-pyrano[3,2-g]chromen-2-yl]ethyl}pyrrolidin-2-oneFormula:
C28H39O12NSmiles:
Cc1cc(=O)c2cc3c(c(CCO)c2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(CCO)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 581.62 | Num_heavy_atoms: | 41 |
| TPSA: | 211.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD60625
Formula: C22H27O6N
Smiles:
Cc1cc(=O)c2cc3c(c(CCO)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.46 | Num_heavy_atoms: | 29 |
| TPSA: | 112.49 | NumAromaticRings: | 2 |
