Glycoside
GD030155
Name:
NoneFormula:
C36H56O9Smiles:
C[C@H](CC=CC(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3C=C[C@]45OC(=O)[C@@]3(CC[C@]12C)[C@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C5(C)CAglycone:
CC(CC=CC(C)(C)O)C1CCC2(C)C3C=CC45OC(=O)C3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD19529
Formula: C30H46O4
Smiles:
CC(CC=CC(C)(C)O)C1CCC2(C)C3C=CC45OC(=O)C3(CCC12C)C4CCC(O)C5(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
