Glycoside
GD016720
Name:
3Beta-Hydroxy-29-O-(Alpha-L-Rhamnopyranosyl)-24-Methylcycloart-24-(24A)-E+Formula:
C37H58O8Smiles:
C=C(C(=O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4[C@]5(CC[C@@H](O)[C@]4(C)C(=O)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)C[C@@]35CC[C@]12C)C(C)CAglycone:
C=C(C(=O)CC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 630.86 | Num_heavy_atoms: | 45 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD12001
Formula: C31H48O4
Smiles:
C=C(C(=O)CC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C)C(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
