Glycoside
GD027684
Name:
NoneFormula:
C31H36O10N2Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3cc(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)CAglycone:
CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)ccc1OSugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 596.63 | Num_heavy_atoms: | 43 |
| TPSA: | 179.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD05814
Formula: C22H21O5N
Smiles:
CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.41 | Num_heavy_atoms: | 28 |
| TPSA: | 99.77 | NumAromaticRings: | 3 |
