Glycoside
GD023734
Name:
NoneFormula:
C35H58O9Smiles:
C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@H]2[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[C@H]4[C@@]1(C)[C@H]2OAglycone:
CC1CC(C(O)C(C)(C)O)OC2C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD15935
Formula: C30H50O5
Smiles:
CC1CC(C(O)C(C)(C)O)OC2C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2O| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
