Glycoside
GD148577
Name:
Aster Saponin HdFormula:
C62H98O30Smiles:
CC1(C)CCC2(C(=O)OC3CCC(O)C(O)C3OC3OC(O)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(OC4OCC(O)(CO)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)OC3CCC(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1(O)COC(OC2C(O)C(O)OC(O)C2OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 11 |
| HBD: | 17 | FractionCSP3: | 0.94 |
| AlogP: | -4.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 1323.44 | Num_heavy_atoms: | 92 |
| TPSA: | 479.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD59449
Formula: C36H58O7
Smiles:
CC1(C)CCC2(C(=O)OC3CCC(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.85 | Num_heavy_atoms: | 43 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Sugarmoiety
SD09566
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1(O)COC(OC2C(O)C(O)OC(O)C2OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C1O