Glycoside
GD034913
Name:
NoneFormula:
C42H66O14Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@@H]4C[C@H](OC(=O)C=C(C)C(C)C)[C@]5(C)[C@](O)(C(C)=O)CC[C@@]5(O)[C@@]4(O)C[C@@H]4O[C@@]43C2)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC4OC45CC(O)CCC5(C)C3CC(OC(=O)C=C(C)C(C)C)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 192.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD22134
Formula: C28H42O8
Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC4OC45CC(O)CCC5(C)C3CC(OC(=O)C=C(C)C(C)C)C12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.64 | Num_heavy_atoms: | 36 |
| TPSA: | 136.82 | NumAromaticRings: | 0 |
