Glycoside
GD005268
Name:
NoneFormula:
C39H64O15Smiles:
CC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](OC[C@@H]5O[C@H](OC[C@@H]6O[C@H](OC[C@@H]7O[C@H](O)C[C@H](O)[C@H]7O)C[C@H](O)[C@H]6O)C[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12CAglycone:
COC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC32O)C1Sugarmoiety:
OC1CC(O)C(O)C(COC2CC(O)C(O)C(COC3CC(O)C(O)C(O)O3)O2)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 772.93 | Num_heavy_atoms: | 54 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD01575
Formula: C22H36O3
Smiles:
COC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC32O)C1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.53 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
