Glycoside
GD029963
Name:
NoneFormula:
C34H42O17Smiles:
COc1ccc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)C=Cc4ccc(OC)c(OC)c4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1OCAglycone:
COC(=O)C=Cc1ccc(OC)c(OC)c1.COC(=O)C=Cc1ccc(OC)c(OC)c1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 14 |
| MolWt: | 722.69 | Num_heavy_atoms: | 51 |
| TPSA: | 238.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD07423
Formula: C12H14O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
