Glycoside
GD031374
Name:
NoneFormula:
C42H62O15Smiles:
CC(C)(C)c1cc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1OAglycone:
COC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 806.94 | Num_heavy_atoms: | 57 |
| TPSA: | 242.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD20222
Formula: C16H24O3
Smiles:
COC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.36 | Num_heavy_atoms: | 19 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
