Glycoside
GD148070
Name:
NoneFormula:
C40H51O10N7Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CCC3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=OAglycone:
CCC1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.42 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 13 |
| MolWt: | 789.89 | Num_heavy_atoms: | 57 |
| TPSA: | 286.99 | 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 |
AD45179
Formula: C27H31O5N5
Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 505.58 | Num_heavy_atoms: | 37 |
| TPSA: | 169.79 | NumAromaticRings: | 2 |
