Glycoside
GD132957
Name:
Periplocoside FFormula:
C63H104O23Smiles:
COC1CC(OC2C(C)OC3(COC4CC(OC(C)C5(O)CCC6C7CC=C8CC(O)CCC8(C)C7CCC65C)OC(C)C4OO3)CC2OC)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1Aglycone:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1OSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 23 | RingCount: | 11 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 16 |
| MolWt: | 1229.5 | Num_heavy_atoms: | 86 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD46009
Formula: C35H56O10
Smiles:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1O| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 125.3 | NumAromaticRings: | 0 |
