Glycoside
GD121978
Name:
trehangelin cFormula:
C22H34O13Smiles:
CC=C(C)C(=O)OC1C(CO)OC(OC2OC(CO)C(OC(=O)C(C)=CC)C(O)C2O)C(O)C1OAglycone:
CC=C(C)C(=O)O.CC=C(C)C(=O)OSugarmoiety:
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.5 | Num_heavy_atoms: | 35 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
