Glycoside
GD034271
Name:
JACEOSIDEFormula:
C23H24O12Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 188.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD11730
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
