Glycoside
GD028893
Name:
NoneFormula:
C42H44O20Smiles:
O=C(OC[C@@H]1O[C@H](Oc2cc(O)cc(O)c2)[C@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](c2ccc(O)cc2)[C@@H](C(=O)OC[C@@H]2O[C@H](Oc3cc(O)cc(O)c3)[C@H](O)[C@H](O)[C@H]2O)[C@H]1c1ccc(O)cc1Aglycone:
COC(=O)C1C(c2ccc(O)cc2)C(C(=O)OC)C1c1ccc(O)cc1.Oc1cc(O)cc(O)c1.Oc1cc(O)cc(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 868.79 | Num_heavy_atoms: | 62 |
| TPSA: | 332.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD09371
Formula: C6H6O3
Smiles:
Oc1cc(O)cc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD11314
Formula: C20H20O6
Smiles:
COC(=O)C1C(c2ccc(O)cc2)C(C(=O)OC)C1c1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
