Glycoside
GD002468
Name:
NoneFormula:
C29H30O12N2Smiles:
COc1ccc(-c2nnc(-c3ccc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc3)o2)cc1Aglycone:
COC(C)=O.COc1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.56 | Num_heavy_atoms: | 43 |
| TPSA: | 171.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02355
Formula: C15H12O3N2
Smiles:
COc1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 68.38 | NumAromaticRings: | 3 |
