Glycoside
GD126996
Name:
NoneFormula:
C55H90O22Smiles:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC8(CO)C(C(C)(O)CCC=C(C)C)C(OC(C)=O)CC8(C)C7=CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC2(CO)C1C(C)(O)CCC=C(C)CSugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 16 |
| MolWt: | 1103.3 | Num_heavy_atoms: | 77 |
| TPSA: | 331.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD51405
Formula: C32H52O5
Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC2(CO)C1C(C)(O)CCC=C(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 5.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
