Glycoside
GD122452
Name:
Triquetroside A1Formula:
C51H84O23Smiles:
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 14 |
| MolWt: | 1065.21 | Num_heavy_atoms: | 74 |
| TPSA: | 366.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD06757
Formula: C27H44O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
