Glycoside
GD121255
Name:
Abutiloside MFormula:
C52H84O23Smiles:
COC1C=C2CC(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3OC3OC(C)C(O)C(O)C3O)CCC2(C)C2CCC3(C)C(CC4OC5(CCC(C)(COC6OC(CO)C(O)C(O)C6O)O5)C(C)C43)C12Aglycone:
COC1C=C2CC(O)CCC2(C)C2CCC3(C)C(CC4OC5(CCC(C)(CO)O5)C(C)C43)C12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 1077.22 | Num_heavy_atoms: | 75 |
| TPSA: | 344.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD48792
Formula: C28H44O5
Smiles:
COC1C=C2CC(O)CCC2(C)C2CCC3(C)C(CC4OC5(CCC(C)(CO)O5)C(C)C43)C12| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
