Glycoside
GD033224
Name:
NoneFormula:
C40H44O16Smiles:
CC1=C[C@H](c2cc3ccc(=O)oc3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@](C)(C=Cc2cc3ccc(=O)oc3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC1Aglycone:
CC1=CC(c2cc3ccc(=O)oc3cc2O)C(C)(C=Cc2cc3ccc(=O)oc3cc2O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 780.78 | Num_heavy_atoms: | 56 |
| TPSA: | 259.18 | NumAromaticRings: | 4 |
Unique Aglycone
AD01692
Formula: C28H24O6
Smiles:
CC1=CC(c2cc3ccc(=O)oc3cc2O)C(C)(C=Cc2cc3ccc(=O)oc3cc2O)CC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 456.49 | Num_heavy_atoms: | 34 |
| TPSA: | 100.88 | NumAromaticRings: | 4 |
