Glycoside
GD024143
Name:
NoneFormula:
C24H28O11Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3ccc(C(C)=O)cc3)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
CC(=O)c1ccc(O)cc1.COC(=O)c1cc(OC)c(OC)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 150.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD09743
Formula: C11H14O5
Smiles:
COC(=O)c1cc(OC)c(OC)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 53.99 | NumAromaticRings: | 1 |
