Glycoside
GD113252
Name:
3-Hydroxy-12-Oleanene-27,28-Dioic Acid, 3-O-(6-DeoFormula:
C36H56O9Smiles:
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD15447
Formula: C30H46O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
