Glycoside
GD030393
Name:
NoneFormula:
C46H46O20Smiles:
COC(=O)[C@@H]1[C@H](C(=O)OC[C@@H]2O[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)oc4c3)[C@H](O)[C@H](O)[C@H]2O)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1Aglycone:
COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.37 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 12 |
| MolWt: | 918.85 | Num_heavy_atoms: | 66 |
| TPSA: | 322.03 | NumAromaticRings: | 5 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
AD05145
Formula: C20H20O6
Smiles:
COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)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 |
