Glycoside
GD016210
Name:
NoneFormula:
C24H22O12Smiles:
O=C(OC[C@@H]1O[C@H](Oc2cc(-c3ccccc3)oc(=O)c2)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=c1cc(O)cc(-c2ccccc2)o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.43 | Num_heavy_atoms: | 36 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD11701
Formula: C11H8O3
Smiles:
O=c1cc(O)cc(-c2ccccc2)o1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.18 | Num_heavy_atoms: | 14 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
