Glycoside
GD029181
Name:
NoneFormula:
C26H28O15Smiles:
O=C(O)[C@H]1O[C@@H](Oc2cc(O)cc(C=Cc3ccc(O[C@H]4O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]4O)cc3)c2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD01773
Formula: C14H12O3
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
