Glycoside
GD034690
Name:
NoneFormula:
C45H66O14Smiles:
CC(=O)OC1COC(O[C@@H]2CC[C@@]34C[C@]35CC[C@]3(C)[C@H]([C@H](C)C[C@H](OC(C)=O)[C@@H]6OC6(C)C)C(=O)[C@H](OC(C)=O)[C@@]3(C)[C@H]5CC[C@H]4C2(C)C)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC(CC(C)C1C(=O)C(OC(C)=O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)CSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.87 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 831.01 | Num_heavy_atoms: | 59 |
| TPSA: | 179.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD22021
Formula: C34H52O7
Smiles:
CC(=O)OC(CC(C)C1C(=O)C(OC(C)=O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C1OC1(C)C| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 572.78 | Num_heavy_atoms: | 41 |
| TPSA: | 102.43 | NumAromaticRings: | 0 |
