Glycoside
GD137167
Name:
NoneFormula:
C57H90O24Smiles:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CC(CC(C)C)OC(C)=O)C8C(OC(C)=O)CC9(C)C7=CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(=O)OC(CC(C)C)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13Sugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(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
AD55432
Formula: C34H52O7
Smiles:
CC(=O)OC(CC(C)C)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(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 |
