Glycoside
GD022933
Name:
NoneFormula:
C26H40O12Smiles:
CC1=CC(=O)C=C(CO)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C2Aglycone:
CC1=CC(=O)C=C(CO)C12CCC(C(C)(C)O)C2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD15483
Formula: C15H22O3
Smiles:
CC1=CC(=O)C=C(CO)C12CCC(C(C)(C)O)C2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
