Glycoside
GD005191
Name:
NoneFormula:
C36H62O9Smiles:
CC1(C)O[C@H]1CC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12CAglycone:
CC(O)(CCC1OC1(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.88 | Num_heavy_atoms: | 45 |
| TPSA: | 152.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD04436
Formula: C30H52O4
Smiles:
CC(O)(CCC1OC1(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 73.22 | NumAromaticRings: | 0 |
