Glycoside
GD006647
Name:
NoneFormula:
C41H60O14Smiles:
COc1ccc(OC)c([C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C(C)=O)c1Aglycone:
COc1ccc(OC)c(C2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)=O)c1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 776.92 | Num_heavy_atoms: | 55 |
| TPSA: | 214.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD03648
Formula: C29H40O4
Smiles:
COc1ccc(OC)c(C2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)=O)c1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.64 | Num_heavy_atoms: | 33 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
