Glycoside
GD133104
Name:
NoneFormula:
C35H40O10N4Smiles:
COc1cc(OC2OC(CO)C(O)(CCC3=CCNC(N)=C3)C(O)C2O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=OAglycone:
CCC1=CCNC(N)=C1.COc1cc(O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 676.72 | Num_heavy_atoms: | 49 |
| TPSA: | 239.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD44859
Formula: C7H12N2
Smiles:
CCC1=CCNC(N)=C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.19 | Num_heavy_atoms: | 9 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
AD53886
Formula: C22H20O5N2
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)cc(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.41 | Num_heavy_atoms: | 29 |
| TPSA: | 121.88 | NumAromaticRings: | 2 |
