Glycoside
GD129664
Name:
Candicanoside AFormula:
C39H60O12Smiles:
CC(C)=CC1C2OCC34CCC5C(CC=C6CC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC65C)C3CC(O2)C4C1CAglycone:
CC(C)=CC1C2OCC34CCC5C(CC=C6CC(O)CCC65C)C3CC(O2)C4C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 720.9 | Num_heavy_atoms: | 51 |
| TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD52529
Formula: C27H40O3
Smiles:
CC(C)=CC1C2OCC34CCC5C(CC=C6CC(O)CCC65C)C3CC(O2)C4C1C| HBA: | 3 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 412.61 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
