Glycoside
GD033167
Name:
NoneFormula:
C37H64O6Smiles:
CC[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@]1(C)CC[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC3=CC[C@]12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2(C)C1(C)CCC1C3(C)CCC(O)CC3=CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 604.91 | Num_heavy_atoms: | 43 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD21192
Formula: C31H54O
Smiles:
CCC(CCC(C)C1CCC2(C)C1(C)CCC1C3(C)CCC(O)CC3=CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 8.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.77 | Num_heavy_atoms: | 32 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
