Glycoside
GD125254
Name:
Triquetroside BFormula:
C51H82O22Smiles:
CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C12Aglycone:
CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C12Sugarmoiety:
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: | 22 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.92 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 14 |
| MolWt: | 1047.2 | Num_heavy_atoms: | 73 |
| TPSA: | 346.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00174
Formula: C27H42O4
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
