Glycoside
GD033924
Name:
Arvenin IiFormula:
C38H58O13Smiles:
CC(=O)OC(C)(C)CCC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12CAglycone:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 722.87 | Num_heavy_atoms: | 51 |
| TPSA: | 217.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD07237
Formula: C32H48O8
Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 560.73 | Num_heavy_atoms: | 40 |
| TPSA: | 138.2 | NumAromaticRings: | 0 |
