Glycoside
GD006617
Name:
3-heptyl-5-hydroxyphenyl 2-heptyl-4-hydroxy-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoateFormula:
C39H58O15Smiles:
CCCCCCCc1cc(O)cc(OC(=O)c2c(CCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CCCCCCCc1cc(O)cc(OC(=O)c2c(O)cc(O)cc2CCCCCCC)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 20 |
| MolWt: | 766.88 | Num_heavy_atoms: | 54 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD05462
Formula: C27H38O5
Smiles:
CCCCCCCc1cc(O)cc(OC(=O)c2c(O)cc(O)cc2CCCCCCC)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 7.05 | Num_rotatable_bonds: | 14 |
| MolWt: | 442.6 | Num_heavy_atoms: | 32 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
