Glycoside
GD137546
Name:
Tricalysioside EFormula:
C32H48O14Smiles:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC12)C(CO)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C3Aglycone:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC12)C(O)(CO)C3Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 656.72 | Num_heavy_atoms: | 46 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD21776
Formula: C20H28O4
Smiles:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC12)C(O)(CO)C3| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
