Glycoside
GD011646
Name:
ILEKUDINOSIDE JFormula:
C42H66O15Smiles:
CC1(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C[C@H](O)C4=C5[C@@]6(CC[C@](C)(OC6=O)[C@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12Aglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 810.97 | Num_heavy_atoms: | 57 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD08875
Formula: C30H46O5
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
