Glycoside
GD109127
Name:
NoneFormula:
C38H56O16Smiles:
COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H]4[C@@H](CC[C@@H]3C2)[C@H]2CC[C@](O)([C@H](COC(C)=O)OC(C)=O)[C@]2(C)C[C@H]4O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(=O)OCC(OC(C)=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC21CSugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 768.85 | Num_heavy_atoms: | 54 |
| TPSA: | 216.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD44520
Formula: C25H40O7
Smiles:
CC(=O)OCC(OC(C)=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC21C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.59 | Num_heavy_atoms: | 32 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
