Glycoside
GD016071
Name:
NoneFormula:
C37H48O14N4SSmiles:
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)CCCS(N)(=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)CCCS(N)(=O)=O)c1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 14 |
| MolWt: | 804.87 | Num_heavy_atoms: | 56 |
| TPSA: | 280.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD11615
Formula: C28H33O9N3S
Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)CCCS(N)(=O)=O)c1O| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 587.65 | Num_heavy_atoms: | 41 |
| TPSA: | 200.47 | NumAromaticRings: | 3 |
