Glycoside
GD130070
Name:
Dichotomide ViiiFormula:
C20H21O9N3Smiles:
CC(=O)c1nc(C(=N)O)c(O)c2c1[nH]c1c(OC3OC(CO)C(O)C(O)C3O)cccc12Aglycone:
CC(=O)c1nc(C(=N)O)c(O)c2c1[nH]c1c(O)cccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.4 | Num_heavy_atoms: | 32 |
| TPSA: | 209.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD52696
Formula: C14H11O4N3
Smiles:
CC(=O)c1nc(C(=N)O)c(O)c2c1[nH]c1c(O)cccc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.26 | Num_heavy_atoms: | 21 |
| TPSA: | 130.29 | NumAromaticRings: | 3 |
