Glycoside
GD035393
Name:
NoneFormula:
C24H28O15Smiles:
O=C(OC[C@]1(O)CO[C@H](O[C@@H]2[C@H](Oc3ccc(O)c(O)c3)O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O)c1ccc(O)c(O)c1Aglycone:
COC(=O)c1ccc(O)c(O)c1.Oc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.47 | Num_heavy_atoms: | 39 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD13436
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD22395
Formula: C6H6O3
Smiles:
Oc1ccc(O)c(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 |
