Glycoside
GD134874
Name:
Platyconic Acid AFormula:
C57H90O29Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(CO)(C(=O)O)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 10 |
| HBD: | 17 | FractionCSP3: | 0.93 |
| AlogP: | -5.29 | Num_rotatable_bonds: | 14 |
| MolWt: | 1239.32 | Num_heavy_atoms: | 86 |
| TPSA: | 470.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD53357
Formula: C30H46O8
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 534.69 | Num_heavy_atoms: | 38 |
| TPSA: | 155.52 | NumAromaticRings: | 0 |
Sugarmoiety
SD02095
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(O)C(O)C1O