Glycoside
GD138245
Name:
NoneFormula:
C57H90O24Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CCC89C(=O)OC(C)(C(CCC(C)C)OC(C)=O)C8C(OC(C)=O)CC9(C)C7CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(=O)OC1CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC23C(=O)OC(C)(C(CCC(C)C)OC(C)=O)C13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 16 |
| MolWt: | 1159.32 | Num_heavy_atoms: | 81 |
| TPSA: | 344.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD46764
Formula: C34H52O7
Smiles:
CC(=O)OC1CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC23C(=O)OC(C)(C(CCC(C)C)OC(C)=O)C13| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 572.78 | Num_heavy_atoms: | 41 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
