Glycoside
GD008708
Name:
NoneFormula:
C33H43O13F3Smiles:
CC[C@H](C)C[C@H](C)C=CC(=O)O[C@H](CC(=O)OCCC[C@H](OC(=O)C(F)(F)F)[C@H](C)Cc1ccccc1)C(=O)O[C@H](C(=O)O)[C@H](O)C(=O)OAglycone:
CCC(C)CC(C)C=CC(=O)OC(C=O)CC(=O)OCCCC(OC(=O)C(F)(F)F)C(C)Cc1ccccc1Sugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 21 |
| MolWt: | 704.69 | Num_heavy_atoms: | 49 |
| TPSA: | 200.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD06921
Formula: C29H39O7F3
Smiles:
CCC(C)CC(C)C=CC(=O)OC(C=O)CC(=O)OCCCC(OC(=O)C(F)(F)F)C(C)Cc1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 17 |
| MolWt: | 556.62 | Num_heavy_atoms: | 39 |
| TPSA: | 95.97 | NumAromaticRings: | 1 |
