Glycoside
GD012550
Name:
RIISEIN BFormula:
C36H60O10Smiles:
CC(=O)OCC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@]4(O)C[C@H](O[C@@H]5OC[C@H](OC(C)=O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CC(=O)OCC(C)CCCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC(=O)OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD09454
Formula: C29H50O5
Smiles:
CC(=O)OCC(C)CCCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.71 | Num_heavy_atoms: | 34 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
