Glycoside
GD006480
Name:
NoneFormula:
C42H68O15Smiles:
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(CO)[C@H](CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(CO)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 812.99 | Num_heavy_atoms: | 57 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD05363
Formula: C30H48O5
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(CO)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
