Glycoside
GD036882
Name:
NoneFormula:
C34H54O8Smiles:
CC1=C(CC[C@H](C)CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]12Aglycone:
CC1=C(CCC(C)CCO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD23253
Formula: C28H44O3
Smiles:
CC1=C(CCC(C)CCO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.66 | Num_heavy_atoms: | 31 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
