Glycoside
GD115417
Name:
NoneFormula:
C38H58O14Smiles:
CC(=O)OC1C(O)CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC23C)CC(OC2OC(CO)C(O)C(O)C2O)C(C)C4(C)O)C1(C)C(=O)OAglycone:
CC(=O)OC1C(O)CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC23C)CC(O)C(C)C4(C)O)C1(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 738.87 | Num_heavy_atoms: | 52 |
| TPSA: | 240.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD45651
Formula: C32H48O9
Smiles:
CC(=O)OC1C(O)CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC23C)CC(O)C(C)C4(C)O)C1(C)C(=O)O| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 576.73 | Num_heavy_atoms: | 41 |
| TPSA: | 161.59 | NumAromaticRings: | 0 |
