Glycoside
GD017332
Name:
NoneFormula:
C40H68O18SSmiles:
CO[C@@H]1[C@H](O[C@H]2[C@H](OCC[C@H](C=C[C@H](C)[C@@H]3[C@H](O)[C@H](O)[C@H]4[C@@]3(C)CC[C@H]3[C@@]4(O)C[C@H](OS(=O)(=O)O)[C@@H]4[C@H](O)[C@H](O)CC[C@]43C)C(C)C)OC[C@@H](O)[C@H]2O)OC[C@H](O)[C@H]1OAglycone:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)CCOSugarmoiety:
COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 13 |
| MolWt: | 869.03 | Num_heavy_atoms: | 59 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD12374
Formula: C29H50O10S
Smiles:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)CCO| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.78 | Num_heavy_atoms: | 40 |
| TPSA: | 184.98 | NumAromaticRings: | 0 |
