Glycoside
GD113160
Name:
NoneFormula:
C37H50O10Smiles:
CCOC(OCC)[C@@](COCc1ccc(OC)cc1)(OCc1ccc(OC)cc1)[C@H](OCc1ccc(OC)cc1)[C@H]1COC(C)(C)O1Aglycone:
CC1(C)OCCO1.COc1ccc(C)cc1.COc1ccc(C)cc1.COc1ccc(C)cc1Sugarmoiety:
CCOC(OCC)C(COO)(OO)C(O)OOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.51 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 20 |
| MolWt: | 654.8 | Num_heavy_atoms: | 47 |
| TPSA: | 92.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD01981
Formula: C8H10O
Smiles:
COc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD24830
Formula: C5H10O2
Smiles:
CC1(C)OCCO1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 18.46 | NumAromaticRings: | 0 |
