Glycoside
GD156969
Name:
NoneFormula:
C53H84O24SSmiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(CO)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CCC=C(C)C)C8CCC9(C)C7=CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(C)=CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13.O=S(=O)(O)OSugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(CO)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 16 |
| MolWt: | 1137.3 | Num_heavy_atoms: | 78 |
| TPSA: | 355.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD61594
Formula: C30H46O3
Smiles:
CC(C)=CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
