Glycoside
GD003681
Name:
Amurensoside AFormula:
C32H56O11SSmiles:
CC(C)[C@H](CC[C@H](C)[C@@H]1C[C@H](OS(=O)(=O)O)[C@@H]2[C@@H]3C[C@H](O)C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C)OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.86 | Num_heavy_atoms: | 44 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD03311
Formula: C27H48O7S
Smiles:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.74 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
