Glycoside
GD142436
Name:
Assamsaponin GFormula:
C60H92O28Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.87 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 16 |
| MolWt: | 1261.37 | Num_heavy_atoms: | 88 |
| TPSA: | 443.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD15436
Formula: C37H56O8
Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)C| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 628.85 | Num_heavy_atoms: | 45 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
