Glycoside
GD139317
Name:
Dichotomide ViiFormula:
C20H21O8N3Smiles:
CC(=O)c1nc(C(N)=O)cc2c1[nH]c1c(OC3OC(CO)C(O)C(O)C3O)cccc12Aglycone:
CC(=O)c1nc(C(N)=O)cc2c1[nH]c1c(O)cccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.4 | Num_heavy_atoms: | 31 |
| TPSA: | 188.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD56177
Formula: C14H11O3N3
Smiles:
CC(=O)c1nc(C(N)=O)cc2c1[nH]c1c(O)cccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 269.26 | Num_heavy_atoms: | 20 |
| TPSA: | 109.07 | NumAromaticRings: | 3 |
