Glycoside
GD023452
Name:
NoneFormula:
C36H62O10Smiles:
CC1(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4[C@H]([C@@](C)(O)CCC=C(CO)CO)CC[C@@]4(C)[C@]3(C)CC[C@@H]12Aglycone:
CC(O)(CCC=C(CO)CO)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD15767
Formula: C30H52O5
Smiles:
CC(O)(CCC=C(CO)CO)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
