Glycoside
GD022492
Name:
Crm646-BFormula:
C37H52O13Smiles:
CCCCCCCCCCCCCCCc1cc(O[C@@H]2OC(C(=O)OC)[C@H](O)[C@H](O)C2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1Aglycone:
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 20 |
| MolWt: | 704.81 | Num_heavy_atoms: | 50 |
| TPSA: | 209.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD08749
Formula: C30H42O7
Smiles:
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 7.66 | Num_rotatable_bonds: | 17 |
| MolWt: | 514.66 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
