Glycoside
GD009425
Name:
6,10-dihydroxy-1,2,4a,6a,6b,9,9,12a-octamethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,13-dioneFormula:
C36H56O10Smiles:
C[C@@H]1C(=O)C[C@]2(C)C[C@H](O)[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@H]1CAglycone:
CC1C(=O)CC2(C)CC(O)C3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD07392
Formula: C30H46O5
Smiles:
CC1C(=O)CC2(C)CC(O)C3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
