Glycoside
GD016895
Name:
NoneFormula:
C19H34O12Smiles:
CC1OC(OC(C)(C)COCC2(O)CCC(O)C(OCC(=O)O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)COCC1(O)CCC(O)C(OCC(=O)O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 454.47 | Num_heavy_atoms: | 31 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD12113
Formula: C13H24O8
Smiles:
CC(C)(O)COCC1(O)CCC(O)C(OCC(=O)O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 308.33 | Num_heavy_atoms: | 21 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
