Glycoside
GD110545
Name:
NoneFormula:
C31H38O12Smiles:
CCCCCCC[C@@H](Oc1cc(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc3)coc2c1)C(=O)OCAglycone:
CCCCCCCC(Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 602.63 | Num_heavy_atoms: | 43 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD44654
Formula: C25H28O7
Smiles:
CCCCCCCC(Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 440.49 | Num_heavy_atoms: | 32 |
| TPSA: | 106.2 | NumAromaticRings: | 3 |
