Glycoside
GD031539
Name:
NoneFormula:
C35H52O10Smiles:
C[C@@H]1C[C@]23OCC(C)(O)[C@H]2O[C@@]2(O3)[C@H]1[C@]1(C)CC[C@]34C[C@]35CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]5CC=C4[C@@]1(C)[C@H]2OAglycone:
CC1CC23OCC(C)(O)C2OC2(O3)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 632.79 | Num_heavy_atoms: | 45 |
| TPSA: | 147.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD20311
Formula: C30H44O6
Smiles:
CC1CC23OCC(C)(O)C2OC2(O3)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2O| HBA: | 6 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
