Glycoside
GD025711
Name:
NoneFormula:
C40H52O10Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCOC[C@@H]1O[C@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC=CCC=CCC=CCC=CCC=CCCCOC.O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 6.35 | Num_rotatable_bonds: | 21 |
| MolWt: | 692.85 | Num_heavy_atoms: | 50 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
AD12219
Formula: C20H32O
Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 288.48 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
