Glycoside
GD013196
Name:
NoneFormula:
C34H52O13Smiles:
C=C1[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]2O)[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]2CC[C@@H]1C3Aglycone:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 668.78 | Num_heavy_atoms: | 47 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD08291
Formula: C20H30O3
Smiles:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
