Glycoside
GD142634
Name:
phyteumoside aFormula:
C50H84O20Smiles:
CC(=O)OC1CC2C(C)(CCC(O)C2(C)C)OC1(C)C1CCC2C(C)(CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)CCC23C)O1Aglycone:
CC(=O)OC1CC2C(C)(CCC(O)C2(C)C)OC1(C)C1CCC2C(C)(CCC3C(C)(C)C(O)CCC23C)O1Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 1005.2 | Num_heavy_atoms: | 70 |
| TPSA: | 302.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD57395
Formula: C32H54O6
Smiles:
CC(=O)OC1CC2C(C)(CCC(O)C2(C)C)OC1(C)C1CCC2C(C)(CCC3C(C)(C)C(O)CCC23C)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 534.78 | Num_heavy_atoms: | 38 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
