Glycoside
GD128017
Name:
Capsianoside IFormula:
C32H52O14Smiles:
C=CC(C)(CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.72 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 17 |
| MolWt: | 660.75 | Num_heavy_atoms: | 46 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45777
Formula: C20H32O4
Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
