Glycoside
GD142582
Name:
Periperoxide DFormula:
C62H102O22Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC6(COC7CC(OC(C)C8(O)CCC9C%10CC=C%11CC(O)CCC%11(C)C%10CCC98C)OC(C)C7OO6)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1OAglycone:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1OSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(O)CC4OC)OC3C)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 11 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 15 |
| MolWt: | 1199.48 | Num_heavy_atoms: | 84 |
| TPSA: | 247.06 | 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 |
