Glycoside
GD001516
Name:
NoneFormula:
C39H68O12Smiles:
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 728.96 | Num_heavy_atoms: | 51 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD01514
Formula: C27H48O2
Smiles:
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.68 | Num_heavy_atoms: | 29 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
