Glycoside
GD026767
Name:
NoneFormula:
C48H51O22NSmiles:
COC(=O)[C@@H]1O[C@H](Oc2ccccc2COC(=O)N[C@@H]2C[C@H](O[C@@H]3C[C@](O)(C(C)=O)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@H](C)[C@H]2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)OCc2ccccc2O)C(O)C(C)O1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 13 |
| MolWt: | 993.92 | Num_heavy_atoms: | 71 |
| TPSA: | 321.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD08926
Formula: C35H35O13N
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)OCc2ccccc2O)C(O)C(C)O1| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 677.66 | Num_heavy_atoms: | 49 |
| TPSA: | 218.38 | NumAromaticRings: | 3 |
