Glycoside
GD025768
Name:
NoneFormula:
C35H54O12Smiles:
C[C@@]12CC[C@H](OC[C@@H]3O[C@H](OC[C@@H]4O[C@H](O)C[C@H](O)[C@H]4O)C[C@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12OAglycone:
COC1CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)CCC32O)C1Sugarmoiety:
OC1CC(O)C(O)C(COC2CC(O)C(O)C(O)O2)O1Other Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 666.81 | Num_heavy_atoms: | 47 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD05019
Formula: C24H36O4
Smiles:
COC1CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)CCC32O)C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.55 | Num_heavy_atoms: | 28 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
