Glycoside
GD131372
Name:
Pisumoside AFormula:
C38H62O21Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1C(O)C(O)C13CC(COC4OC(CO)C(O)C(O)C4O)C(O)(CCC21)C3Aglycone:
CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(CO)C(O)(CCC21)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.97 |
| AlogP: | -5.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 854.89 | Num_heavy_atoms: | 59 |
| TPSA: | 355.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD53227
Formula: C20H32O6
Smiles:
CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(CO)C(O)(CCC21)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 368.47 | Num_heavy_atoms: | 26 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
