Glycoside
GD111984
Name:
NoneFormula:
C36H52O13Smiles:
COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(=O)CO)CCC32)C1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 692.8 | Num_heavy_atoms: | 49 |
| TPSA: | 167.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD44743
Formula: C23H36O4
Smiles:
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(=O)CO)CCC32)C1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
