Glycoside
GD146713
Name:
NoneFormula:
C36H60O23N4Smiles:
CC(O)=NC(CO)C(C=O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)C1N=C(C)OAglycone:
CC(O)=NC(CO)C(O)C=OSugarmoiety:
CC(O)=NC1C(OC2C(OC3C(N=C(C)O)C(O)OC(CO)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)OC(C)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.86 |
| AlogP: | -5.84 | Num_rotatable_bonds: | 18 |
| MolWt: | 916.88 | Num_heavy_atoms: | 63 |
| TPSA: | 423.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD47712
Formula: C6H11O4N
Smiles:
CC(O)=NC(CO)C(O)C=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 161.16 | Num_heavy_atoms: | 11 |
| TPSA: | 90.12 | NumAromaticRings: | 0 |
Sugarmoiety
SD09363
CC(O)=NC1C(OC2C(OC3C(N=C(C)O)C(O)OC(CO)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)OC(C)C(O)C2O)OC(CO)C(O)C1O