Glycoside
GD146816
Name:
3-O-[Alpha-L-Rhamnopyranosyl-(1-4)-Beta-D-Glucopyranosyl]-26-O-Beta-D-Glu+Formula:
C45H72O18Smiles:
CC(CC=C1OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1(C)O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CC=C1OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1(C)OSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 901.05 | Num_heavy_atoms: | 63 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48214
Formula: C27H42O4
Smiles:
CC(CO)CC=C1OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1(C)O| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
