Glycoside
GD133706
Name:
Zygophyloside MFormula:
C41H66O12Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C5CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC(C)(C)CC6C5=CCC43)C2(C)C)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD47803
Formula: C29H46O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
