Glycoside
GD018338
Name:
NoneFormula:
C39H64O16Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](OC2OC(C)C(O)C(=O)C2O)[C@H](CC(OC)OC)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(=O)C2O)C(CC(OC)OC)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 788.93 | Num_heavy_atoms: | 55 |
| TPSA: | 215.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD12956
Formula: C31H50O12
Smiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(=O)C2O)C(CC(OC)OC)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.73 | Num_heavy_atoms: | 43 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
