Glycoside
GD025511
Name:
NoneFormula:
C48H50O16Smiles:
O=C(O)Cc1cccc(-c2cc(Cc3ccc(Cc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5cccc(CC(=O)O)c5)c4)cc3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(Cc3ccc(Cc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)cc3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 16 |
| MolWt: | 882.91 | Num_heavy_atoms: | 64 |
| TPSA: | 273.36 | NumAromaticRings: | 5 |
Unique Aglycone
AD16910
Formula: C36H30O6
Smiles:
O=C(O)Cc1cccc(-c2cc(Cc3ccc(Cc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)cc3)ccc2O)c1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 6.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 558.63 | Num_heavy_atoms: | 42 |
| TPSA: | 115.06 | NumAromaticRings: | 5 |
