Glycoside
GD036924
Name:
4-[2,4-dihydroxy-6-(nona-3,5-dien-1-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoyloxy]-2-hydroxy-6-(nona-3,5-dien-1-yl)benzoic acidFormula:
C38H48O12Smiles:
CCCC=CC=CCCc1cc(OC(=O)c2c(CCC=CC=CCCC)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2O)cc(O)c1C(=O)OAglycone:
CCCC=CC=CCCc1cc(OC(=O)c2c(O)cc(O)cc2CCC=CC=CCCC)cc(O)c1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 17 |
| MolWt: | 696.79 | Num_heavy_atoms: | 50 |
| TPSA: | 214.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD23278
Formula: C32H38O7
Smiles:
CCCC=CC=CCCc1cc(OC(=O)c2c(O)cc(O)cc2CCC=CC=CCCC)cc(O)c1C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 7.41 | Num_rotatable_bonds: | 15 |
| MolWt: | 534.65 | Num_heavy_atoms: | 39 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
