Glycoside
GD034036
Name:
NoneFormula:
C26H38O8Smiles:
CC1=CC2=C(C(=O)[C@H](C)C2)C(=O)[C@H](C)C[C@@H]2[C@H](CC1)[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1=CC2=C(C(=O)C(C)C2)C(=O)C(C)CC2C(CC1)C2(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.58 | Num_heavy_atoms: | 34 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD21682
Formula: C20H28O3
Smiles:
CC1=CC2=C(C(=O)C(C)C2)C(=O)C(C)CC2C(CC1)C2(C)CO| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.44 | Num_heavy_atoms: | 23 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
