Glycoside
GD001635
Name:
NoneFormula:
C39H68O6SSmiles:
CC(C)CCCC(C)[C@@H]1CC[C@@H]2C3CC=C4C[C@H](OCCCCCCS[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCS)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 7.51 | Num_rotatable_bonds: | 15 |
| MolWt: | 665.03 | Num_heavy_atoms: | 46 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD01621
Formula: C33H58OS
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCS)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 9.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 502.89 | Num_heavy_atoms: | 35 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
