Glycoside
GD003947
Name:
BIMOSIAMOSE DISODIUMFormula:
C46H52O16Smiles:
O=C([O-])Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(-c4cccc(CC(=O)[O-])c4)c3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C([O-])Cc1cccc(-c2cc(CCCCCCc3ccc(O)c(-c4cccc(CC(=O)[O-])c4)c3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 19 |
| MolWt: | 860.91 | Num_heavy_atoms: | 62 |
| TPSA: | 279.02 | NumAromaticRings: | 4 |
Unique Aglycone
AD03513
Formula: C34H32O6
Smiles:
O=C([O-])Cc1cccc(-c2cc(CCCCCCc3ccc(O)c(-c4cccc(CC(=O)[O-])c4)c3)ccc2O)c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 13 |
| MolWt: | 536.62 | Num_heavy_atoms: | 40 |
| TPSA: | 120.72 | NumAromaticRings: | 4 |
