Glycoside
GD033373
Name:
NoneFormula:
C27H28O9Smiles:
O=C(OC[C@@H]1O[C@H](Oc2ccc(OCc3ccccc3)cc2CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.OCc1cc(OCc2ccccc2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 496.51 | Num_heavy_atoms: | 36 |
| TPSA: | 134.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD21303
Formula: C14H14O3
Smiles:
OCc1cc(OCc2ccccc2)ccc1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 230.26 | Num_heavy_atoms: | 17 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
