Glycoside
GD036536
Name:
NoneFormula:
C64H106O17Smiles:
CCCCCCCCCCCCCCCCCCOc1cc(C)c(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4c(C)cc(OCCCCCCCCCCCCCCCCCC)cc4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(O)c1Aglycone:
CCCCCCCCCCCCCCCCCCOc1cc(C)c(C(=O)OC)c(O)c1.CCCCCCCCCCCCCCCCCCOc1cc(C)c(C(=O)OC)c(O)c1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | 11.64 | Num_rotatable_bonds: | 44 |
| MolWt: | 1147.53 | Num_heavy_atoms: | 81 |
| TPSA: | 260.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD23030
Formula: C27H46O4
Smiles:
CCCCCCCCCCCCCCCCCCOc1cc(C)c(C(=O)OC)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 8.13 | Num_rotatable_bonds: | 19 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
