Glycoside
GD007316
Name:
FRUTICOSIDE DFormula:
C37H58O9Smiles:
C=C(CC[C@H](C(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@]21C)C(C)CAglycone:
C=C(CCC(C(=O)O)C1CCC2C3=CCC4C(C)C(O)C(OC(C)=O)CC4(C)C3CCC21C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD05967
Formula: C31H48O5
Smiles:
C=C(CCC(C(=O)O)C1CCC2C3=CCC4C(C)C(O)C(OC(C)=O)CC4(C)C3CCC21C)C(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
