Glycoside
GD149247
Name:
NoneFormula:
C46H76O16Smiles:
CCC1CC1C1CC2CC(OC3OCC(OC)C(OC)C3O)C(C)(C)C(CC(=O)OC(C3CC3CC)CC3CC(OC4OCC(OC)C(OC)C4O)C(C)(C)C(CC(=O)O1)O3)O2Aglycone:
CCC1CC1C1CC2CC(O)C(C)(C)C(CC(=O)OC(C3CC3CC)CC3CC(O)C(C)(C)C(CC(=O)O1)O3)O2Sugarmoiety:
COC1COC(O)C(O)C1OC.COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 885.1 | Num_heavy_atoms: | 62 |
| TPSA: | 185.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD59687
Formula: C32H52O8
Smiles:
CCC1CC1C1CC2CC(O)C(C)(C)C(CC(=O)OC(C3CC3CC)CC3CC(O)C(C)(C)C(CC(=O)O1)O3)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.76 | Num_heavy_atoms: | 40 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
