Glycoside
GD154344
Name:
3-O-Beta-D-Glucopyranosyl-(1-2)-[Beta-D-Glucopyranosyl-(1-4)]-Alpha-L-Ara+Formula:
C47H76O17Smiles:
CC1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1Aglycone:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1Sugarmoiety:
OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 913.11 | Num_heavy_atoms: | 64 |
| TPSA: | 263.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD12947
Formula: C30H48O3
Smiles:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 6.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
