Glycoside
GD115768
Name:
NoneFormula:
C34H43O11N5Smiles:
CNC(=N)NCc1c(CC(CCCO)C2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=OAglycone:
CNC(=N)NCc1c(CC(CCCO)C2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 697.74 | Num_heavy_atoms: | 50 |
| TPSA: | 269.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD44943
Formula: C28H33O6N5
Smiles:
CNC(=N)NCc1c(CC(CCCO)C2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 535.6 | Num_heavy_atoms: | 39 |
| TPSA: | 190.02 | NumAromaticRings: | 2 |
