Glycoside
GD026446
Name:
PLANTAGINEOSIDE AFormula:
C31H42O15Smiles:
O=C(CCCCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1)CCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1Aglycone:
O=C(CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 14 |
| MolWt: | 654.66 | Num_heavy_atoms: | 46 |
| TPSA: | 256.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD17432
Formula: C19H22O5
Smiles:
O=C(CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 330.38 | Num_heavy_atoms: | 24 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
