Glycoside
GD018841
Name:
3-O-Beta-D-Glucopyranosyl-(1-2)-[Alpha-L-Rhamnopyranosyl-(1-4)-Beta-D-Glu+Formula:
C53H84O22Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](O)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)[C@H](O)[C@H](O)[C@@]12COAglycone:
CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21COSugarmoiety:
CC1OC(OC2C(C(=O)O)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 1073.23 | Num_heavy_atoms: | 75 |
| TPSA: | 361.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD07437
Formula: C35H56O7
Smiles:
CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 588.83 | Num_heavy_atoms: | 42 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
