Glycoside
GD019227
Name:
NoneFormula:
C28H32O13Smiles:
C=C1C=C(c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc(O)c21Aglycone:
C=C1C=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.55 | Num_heavy_atoms: | 41 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD13450
Formula: C16H12O4
Smiles:
C=C1C=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
