Glycoside
GD016983
Name:
NoneFormula:
C46H54O18Smiles:
O=C(O)COc1cccc(-c2ccc(CCCCCCc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(-c4cccc(OCC(=O)O)c4)c3)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)COc1cccc(-c2ccc(CCCCCCc3ccc(O)c(-c4cccc(OCC(=O)O)c4)c3)cc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 21 |
| MolWt: | 894.92 | Num_heavy_atoms: | 64 |
| TPSA: | 291.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD12170
Formula: C34H34O8
Smiles:
O=C(O)COc1cccc(-c2ccc(CCCCCCc3ccc(O)c(-c4cccc(OCC(=O)O)c4)c3)cc2O)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 6.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 570.64 | Num_heavy_atoms: | 42 |
| TPSA: | 133.52 | NumAromaticRings: | 4 |
