Glycoside
GD112543
Name:
NoneFormula:
C39H36O14Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@@H]3O[C@H](c4ccccc4)O[C@@H]23)O[C@@H](C)[C@H]1OAglycone:
Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C6OC(c7ccccc7)OC6C5O)c4c4oc(=O)c1c2c34Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 728.7 | Num_heavy_atoms: | 53 |
| TPSA: | 185.72 | NumAromaticRings: | 6 |
Unique Aglycone
AD00016
Formula: C32H24O10
Smiles:
Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C6OC(c7ccccc7)OC6C5O)c4c4oc(=O)c1c2c34| HBA: | 10 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 568.53 | Num_heavy_atoms: | 42 |
| TPSA: | 137.8 | NumAromaticRings: | 6 |
