Glycoside
GD134640
Name:
3-{4-[2-(2,4-dihydroxy-3-methylhexyl)-1,3-oxazol-4-yl]-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]but-3-en-1-yl}-8-hydroxy-7-(2-methylbutyl)-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C33H47O11NSmiles:
CCC(C)Cc1ccc2c(c1O)C(=O)OC(CC(C=Cc1coc(CC(O)C(C)C(O)CC)n1)OC1OCC(O)C(O)C1O)C2Aglycone:
CCC(C)Cc1ccc2c(c1O)C(=O)OC(CC(O)C=Cc1coc(CC(O)C(C)C(O)CC)n1)C2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 14 |
| MolWt: | 633.74 | Num_heavy_atoms: | 45 |
| TPSA: | 192.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD45621
Formula: C28H39O7N
Smiles:
CCC(C)Cc1ccc2c(c1O)C(=O)OC(CC(O)C=Cc1coc(CC(O)C(C)C(O)CC)n1)C2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 501.62 | Num_heavy_atoms: | 36 |
| TPSA: | 133.25 | NumAromaticRings: | 2 |
