Glycoside
GD018710
Name:
NoneFormula:
C49H72O18Smiles:
COc1cc(C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@@H](O[C@@H]5C[C@H](O)[C@H](O[C@@H]6C[C@H](OC)[C@H](O[C@@H]7C[C@H](OC)[C@H](O)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)CC4=CC[C@]3(O)[C@]3(O)CC[C@](O)(C(C)=O)[C@]23C)ccc1OAglycone:
COc1cc(C(=O)OC2CC3C4(C)CCC(O)CC4=CCC3(O)C3(O)CCC(O)(C(C)=O)C23C)ccc1OSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(O)OC3C)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 949.1 | Num_heavy_atoms: | 67 |
| TPSA: | 247.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD13149
Formula: C29H38O9
Smiles:
COc1cc(C(=O)OC2CC3C4(C)CCC(O)CC4=CCC3(O)C3(O)CCC(O)(C(C)=O)C23C)ccc1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.61 | Num_heavy_atoms: | 38 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
