Glycoside
GD010239
Name:
FRUTICOSIDE FFormula:
C37H58O8SSmiles:
C=C(CC[C@H](C(=O)S)[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)S)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: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 662.93 | Num_heavy_atoms: | 46 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD07944
Formula: C31H48O4S
Smiles:
C=C(CCC(C(=O)S)C1CCC2C3=CCC4C(C)C(O)C(OC(C)=O)CC4(C)C3CCC21C)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 6.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.79 | Num_heavy_atoms: | 36 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
