Glycoside
GD033981
Name:
NoneFormula:
C27H36O13Smiles:
COC(=O)C1=CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(CCC=O)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1Aglycone:
COC(=O)C1=CCC(O)C(CCC=O)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 12 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 209.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD21650
Formula: C21H26O8
Smiles:
COC(=O)C1=CCC(O)C(CCC=O)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 130.36 | NumAromaticRings: | 1 |
