Glycoside
GD037464
Name:
NoneFormula:
C31H32O15Smiles:
O=C1C(O)=Cc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)cc3c(-c4ccc(O)c(O)c4)ccc1c23Aglycone:
O=C1C(O)=Cc2cc(O)cc3c(-c4ccc(O)c(O)c4)ccc1c23Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 644.58 | Num_heavy_atoms: | 46 |
| TPSA: | 256.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD23593
Formula: C19H12O5
Smiles:
O=C1C(O)=Cc2cc(O)cc3c(-c4ccc(O)c(O)c4)ccc1c23| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.3 | Num_heavy_atoms: | 24 |
| TPSA: | 97.99 | NumAromaticRings: | 3 |
