Glycoside
GD118667
Name:
NoneFormula:
C31H37O10N3Smiles:
CNCc1c(C)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C3O)cc(OC)cc1C2=OAglycone:
CCC1=CCNC(N)=C1.CNCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 611.65 | Num_heavy_atoms: | 44 |
| TPSA: | 213.06 | 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 |
AD46339
Formula: C18H17O5N
Smiles:
CNCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.34 | Num_heavy_atoms: | 24 |
| TPSA: | 95.86 | NumAromaticRings: | 2 |
