Glycoside
GD027019
Name:
AMURENSOSIDE AFormula:
C32H55O11SSmiles:
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)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
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: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 647.85 | Num_heavy_atoms: | 44 |
| TPSA: | 186.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD10678
Formula: C27H47O7S
Smiles:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)[O-])C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 515.73 | Num_heavy_atoms: | 35 |
| TPSA: | 127.12 | NumAromaticRings: | 0 |
