Glycoside
GD034358
Name:
3B-Hydroxy-23-Oxo-30-Noroleana-12,20(29)-Diene-28-Oic Acid 3-O-Beta-D-Glucuronopyranosyl-28-O-Beta-D-GlucopyranosideFormula:
C41H60O15Smiles:
C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 792.92 | Num_heavy_atoms: | 56 |
| TPSA: | 249.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD21851
Formula: C29H42O4
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 5.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 454.65 | Num_heavy_atoms: | 33 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
