Glycoside
GD035970
Name:
NoneFormula:
C42H62O17Smiles:
CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4c(O)c(C(C)(C)C)cc(C(C)(C)C)c4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c1OAglycone:
COC(=O)c1c(O)c(C(C)(C)C)cc(C(C)(C)C)c1O.COC(=O)c1c(O)c(C(C)(C)C)cc(C(C)(C)C)c1OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 838.94 | Num_heavy_atoms: | 59 |
| TPSA: | 282.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD22732
Formula: C16H24O4
Smiles:
COC(=O)c1c(O)c(C(C)(C)C)cc(C(C)(C)C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 280.36 | Num_heavy_atoms: | 20 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
