Glycoside
GD152389
Name:
NoneFormula:
C37H58O18Smiles:
C=C1CC23CCC4C(CCCC4(C)C(=O)O)C2CCC1(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C3Aglycone:
C=C1CC23CCC4C(CCCC4(C)C(=O)O)C2CCC1(O)C3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.92 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 790.85 | Num_heavy_atoms: | 55 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD49124
Formula: C19H28O3
Smiles:
C=C1CC23CCC4C(CCCC4(C)C(=O)O)C2CCC1(O)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.43 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
