Glycoside
GD016009
Name:
FRUTICOSIDE GFormula:
C36H58O6SSmiles:
CC=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)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)CAglycone:
CC=C(CCC(C(=O)S)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC21C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 6.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.92 | Num_heavy_atoms: | 43 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD11574
Formula: C30H48O2S
Smiles:
CC=C(CCC(C(=O)S)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC21C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 7.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.78 | Num_heavy_atoms: | 33 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
