Glycoside
GD031373
Name:
NoneFormula:
C34H46O15Smiles:
CC(C)(C)c1ccc(O)c(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4cc(C(C)(C)C)ccc4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)c1cc(C(C)(C)C)ccc1O.COC(=O)c1cc(C(C)(C)C)ccc1OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 694.73 | Num_heavy_atoms: | 49 |
| TPSA: | 242.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD20221
Formula: C12H16O3
Smiles:
COC(=O)c1cc(C(C)(C)C)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.26 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
