Glycoside
GD017320
Name:
Certonardoside IFormula:
C35H62O14SSmiles:
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@@]2(C)CC[C@H]2[C@@]3(O)C[C@H](OS(=O)(=O)O)[C@@H]3[C@H](O)[C@H](O)CC[C@]32C)C(C)C)[C@H](O)[C@H]1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12OSugarmoiety:
COC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 738.93 | Num_heavy_atoms: | 50 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD04873
Formula: C29H52O10S
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.79 | Num_heavy_atoms: | 40 |
| TPSA: | 184.98 | NumAromaticRings: | 0 |
