Glycoside
GD144826
Name:
NoneFormula:
C34H43O10N5Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CCC3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=OAglycone:
CCC1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 681.74 | Num_heavy_atoms: | 49 |
| TPSA: | 248.94 | 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 |
AD50074
Formula: C21H23O5N3
Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 397.43 | Num_heavy_atoms: | 29 |
| TPSA: | 131.74 | NumAromaticRings: | 2 |
