Glycoside
GD027331
Name:
CERTONARDOSIDE KFormula:
C35H61O13SSmiles:
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: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 721.93 | Num_heavy_atoms: | 49 |
| TPSA: | 215.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD17967
Formula: C29H51O9S
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: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 575.79 | Num_heavy_atoms: | 39 |
| TPSA: | 167.58 | NumAromaticRings: | 0 |
