Glycoside
GD140393
Name:
(25R)-3Beta-[O-Beta-D-Xylopyranosyl-(1-2)-O-Beta-D-Glucopyranosyl-(1-4)-B+Formula:
C44H70O19Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CC(=O)C3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4CC(=O)C3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 903.03 | Num_heavy_atoms: | 63 |
| TPSA: | 293.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45328
Formula: C27H42O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4CC(=O)C3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
