Glycoside
GD127087
Name:
3-o-[alpha-l-arabinopyranosyl-(1-2)-beta-d-xylopyranosyl]-16-o-beta-d-glu+Formula:
C46H78O19Smiles:
CC(C)(O)C(O)CCC(C)(O)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OCC(O)C(O)C5OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(C)(O)C(O)CCC(C)(O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 935.11 | Num_heavy_atoms: | 65 |
| TPSA: | 318.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51448
Formula: C30H52O6
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.74 | Num_heavy_atoms: | 36 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
