Glycoside
GD035022
Name:
NoneFormula:
C26H30O12Smiles:
COc1cc2c(c3occc13)C[C@@H]1OC(=O)[C@]3(C)[C@H]1[C@@]21CO[C@@]3(O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1Aglycone:
COc1cc2c(c3occc13)CC1OC(=O)C3(C)C1C21COC3(O)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 177.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD22192
Formula: C20H20O7
Smiles:
COc1cc2c(c3occc13)CC1OC(=O)C3(C)C1C21COC3(O)C(O)C1| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 98.36 | NumAromaticRings: | 2 |
