Glycoside
GD027546
Name:
Certonardoside JFormula:
C35H62O13SSmiles:
CO[C@@H]1CO[C@H](OCC[C@H](CC[C@H](C)[C@@H]2[C@H](O)[C@H](O)[C@@H]3[C@@H]4C[C@H](OS(=O)(=O)O)[C@@H]5[C@H](O)[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]23C)C(C)C)[C@H](O)[C@H]1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C3CC(OS(=O)(=O)O)C4C(O)C(O)CCC4(C)C3CCC12CSugarmoiety:
COC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 722.93 | Num_heavy_atoms: | 49 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD18093
Formula: C29H52O9S
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C3CC(OS(=O)(=O)O)C4C(O)C(O)CCC4(C)C3CCC12C| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.79 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
