Glycoside
GD007306
Name:
NoneFormula:
C36H45O14N3SSmiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN(C)C(=O)CS(C)(=O)=O)c4)c(=O)oc3c2C)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)CS(C)(=O)=O)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 12 |
| MolWt: | 775.83 | Num_heavy_atoms: | 54 |
| TPSA: | 254.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD05960
Formula: C27H30O9N2S
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)CS(C)(=O)=O)c1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.61 | Num_heavy_atoms: | 39 |
| TPSA: | 174.45 | NumAromaticRings: | 3 |
