Glycoside
GD154538
Name:
NoneFormula:
C35H44O10N6Smiles:
CNC(=N)NCc1c(CC2(C3=CNC(N)C=C3)CCNCC2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=OAglycone:
CNC(=N)NCc1c(CC2(C3=CNC(N)C=C3)CCNCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.46 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 708.77 | Num_heavy_atoms: | 51 |
| TPSA: | 260.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD61370
Formula: C29H34O5N6
Smiles:
CNC(=N)NCc1c(CC2(C3=CNC(N)C=C3)CCNCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.34 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.63 | Num_heavy_atoms: | 40 |
| TPSA: | 181.82 | NumAromaticRings: | 2 |
