Glycoside
GD115363
Name:
3-{4-[2-(2,4-dihydroxy-3-methylhexyl)-1,3-oxazol-4-yl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-en-1-yl}-8-hydroxy-7-(2-methylbutyl)-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C34H49O12NSmiles:
CCC(C)Cc1ccc2c(c1O)C(=O)OC(CC(C=Cc1coc(CC(O)C(C)C(O)CC)n1)OC1OC(CO)C(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:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 15 |
| MolWt: | 663.76 | Num_heavy_atoms: | 47 |
| TPSA: | 212.4 | 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 |
